SCHEMBL4097604

SCHEMBL4097604

CC(C)Cc1c(CC(C)C)c(S(=O)(=O)[O-])c2ccccc2c1CC(C)C.[Na+]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.30
CA2 known ✓ P00918 1/20 0.30
PTGS1 known ✓ P23219 1/20 0.30
PTGS2 known ✓ P35354 1/20 0.30
TTR P02766 1/20 0.32
ELANE P08246 1/20 0.32
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA9 Q16790 1/20 0.30
PTPN1 P18031 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10630609 0.94 TTR (0.32) TTRELANEFBP1KDM4EALDH1A1
SCHEMBL8032033 0.79 CYP1A2 (0.33) ELANEFBP1TSHRSMN1; SMN2HSD17B10
SCHEMBL18140261 0.78 CA12 (0.34) TTRKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL37571 0.78 NR1I2 (0.35) ELANEALDH1A1
SCHEMBL29460462 0.78 NR1I2 (0.35) ELANEALDH1A1
Formaldehyde SCHEMBL18141073 0.75 CA12 (0.33) CA12CA2CA9
Potassium Ion SCHEMBL23749083 0.75 NR1I2 (0.33) ELANEALDH1A1L3MBTL1
SCHEMBL6023749 0.75 GPR35 (0.34) ELANEKDM4EL3MBTL1
Lithium Ion SCHEMBL8645695 0.75 HTT (0.37) KDM4EALDH1A1SMN1; SMN2CA12CA2
SCHEMBL5946662 0.72 KDM4E (0.40) ELANEKDM4EALDH1A1TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023103-A1 SOLID DISPERSION, PROCESS OF PRODUCING SOLID DISPERSION, AND HEAT DEVELOPABLE PHOTOSENSITIVE MATERIAL FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
EP-1265098-B1 Photothermographic material FUJI PHOTO FILM CO LTD (JP) 2006-10-11 EP disclosed
US-6824962-B2 SILVER HALIDE MATERIAL CONTAINS A COMPOUND PRODUCING IMAGEWISE A CHEMICAL SPECIES THAT CAN FORM DEVELOPMENT INITIATION POINTS ON AND IN THE VICINITY OF THE NON-PHOTOSENSITIVE ORGANIC SILVER SALT AND AN ORGANIC GOLD COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2004-11-30 US disclosed
US-6800430-B2 COMPRISING A PHOTOSENSITIVE SILVER HALIDE, A REDUCIBLE SILVER SALT, A BISPHENOL REDUCING AGENT, A BINDER, A PHENOL COMPOUND; PHOTOMECHANICAL PROCESS LIKE SCANNERS, IMAGE SETTERS; HIGH SENSITIVITY, HIGH MAXIMUM DENSITY AND HAZE-FREE FUJI PHOTO FILM CO., LTD. (JP) 2004-10-05 US disclosed
US-6770430-B1 ONE SIDE OF SUPPORT AN IMAGE FORMING LAYER, IN WHICH THE OUTERMOST LAYER ON THE SAME SIDE WITH THE IMAGE FORMING LAYER CONTAINS BINDER DIFFERENT FROM THAT CONTAINED ON OUTMOST LAYER ON OPPOSITE SIDE OF SUPPORT FUJI PHOTO FILM CO., LTD. (JP) 2004-08-03 US disclosed
US-6746835-B2 CONTAINS AN ENOLATE SUCH AS THE SODIUM SALT OF 4-(HYDROXYMETHYLIDENE)-5-OXO-2-IMIDAZOLINE; LOW FOG, HIGH DMAX, ULTRAHIGH CONTRAST AND GOOD STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 2004-06-08 US disclosed
US-6699653-B2 Photographic films containing group IB compounds such as silver behenate or stearate, silver halides and reducing agents on radiation transparent supports, having storage stability; antifogging FUJI PHOTO FILM CO., LTD. (JP) 2004-03-02 US disclosed
US-6652166-B2 Napping FUJI PHOTO FILM CO., LTD. (JP) 2003-11-25 US disclosed
US-6645714-B2 Mixture of a photosensitive silver halide, reducible silver salt, reducing agent, binder and phenol compound on support FUJI PHOTO FILM CO., LTD. (JP) 2003-11-11 US disclosed
US-20030194638-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2003-10-16 US disclosed
US-6458505-B2 HIGH IMAGE DENSITY AND LOW HUMIDITY DEPENDENCY DURING DEVELOPMENT FOR DEVELOPED CHARACTER LINE WIDTH, LITTLE GROWTH OF LINE WIDTH DURING DEVELOPMENT UNDER CONDITIONS OF HIGH TEMPERATURE AND HIGH HUMIDITY FUJI PHOTO FILM CO., LTD. (JP) 2002-10-01 US disclosed
US-6423487-B2 ACYCLIC OR HETEROCYCLIC AMINOALKYL (METH)ACRYLAMIDE POLYMERS OR POLYMERS OF (METH)ACRYLATED ALKYLENE OXIDE ADDUCTS OF PIPERAZINES OR MORPHOLINE AS VISCOSITY ENHANCERS FUJI PHOTO FILM CO., LTD. (JP) 2002-07-23 US disclosed
US-20020081542-A1 Wherein photosensitive silver halide is spectrally sensitized with a dye to extend wavelength; suitable for infrared semiconductor lasers FUJIFILM CORPORATION (JP) 2002-06-27 US disclosed
US-20020055068-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2002-05-09 US disclosed
US-20020048716-A1 Image recording material FUJIFILM CORPORATION (JP) 2002-04-25 US disclosed
US-20020015927-A1 Thermally processed image recording material FUJIFILM CORPORATION (JP) 2002-02-07 US disclosed
US-20010053503-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2001-12-20 US disclosed
US-20010051319-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2001-12-13 US disclosed
US-20010044069-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2001-11-22 US disclosed
EP-1079271-A1 Thermally processed image forming material FUJI PHOTO FILM CO., LTD. (JP) 2001-02-28 EP disclosed