SCHEMBL4132579

SCHEMBL4132579

C=CCc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
XDH known ✓ P47989 1/20 0.39
PPARG known ✓ P37231 2/20 0.38
GABRA1 known ✓ P14867 1/20 0.38
GABRB2 known ✓ P47870 1/20 0.38
CA1 known ✓ P00915 3/20 0.35
CA2 known ✓ P00918 3/20 0.35
CA12 known ✓ O43570 2/20 0.35
CNR2 P34972 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.41
CYP2C8 P10632 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 3/20 0.39
CYP2C18 P33260 2/20 0.39

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
Allylbenzene SCHEMBL29099792 0.85 CNR2 (0.51) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
SCHEMBL636220 0.83 POLB (0.52) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
Allylbenzene SCHEMBL1563634 0.79 CNR2 (0.53) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
SCHEMBL87584 0.79 TDP1 (0.55) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
SCHEMBL4605045 0.79 CA2 (0.57) SMN1; SMN2MAPTCA1CA2CA9
Allylbenzene SCHEMBL5953426 0.79 CNR2 (0.53) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
SCHEMBL11330497 0.79 ALDH1A1 (0.53) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
SCHEMBL7937162 0.79 CNR2 (0.45) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53
Ammonia Solution, Strong SCHEMBL9404175 0.78 CA2 (0.55) SMN1; SMN2MAPTCA1CA2CA9
SCHEMBL4132583 0.78 TDP1 (0.53) CNR2ALDH1A1SMN1; SMN2CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114367276-A Photocatalyst, preparation method and application thereof, and clothes washing method 华东师范大学重庆研究院 2022-04-19 CN disclosed
EP-1063566-B1 A method for preparing non-photo-sensitive fatty acid silver salt grain FUJIFILM CORP (JP) 2009-06-10 EP disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
EP-1069468-B1 A method for preparing non-photosensitive fatty acid silver salt grains and an apparatus for preparing the same FUJI PHOTO FILM CO LTD (JP) 2006-11-22 EP disclosed
US-7083906-B2 Heat-developable photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 2006-08-01 US disclosed
EP-1134611-B1 Photothermographic material and method for forming images FUJI PHOTO FILM CO LTD (JP) 2005-07-20 EP disclosed
EP-1014178-B1 Photothermographic or thermographic material FUJI PHOTO FILM CO LTD (JP) 2004-12-01 EP disclosed
EP-1041435-B1 Heat-developable photographic material FUJI PHOTO FILM CO LTD (JP) 2004-11-24 EP disclosed
US-6818190-B2 MIXING SILVER CONTAINING SOLUTION WITH SOLUTION OF FATTY ACID ALKALI METAL SALT IN CLOSED MIXING MEANS TO FORM FATTY ACID SILVER SALT FUJI PHOTO FILM CO., LTD. (JP) 2004-11-16 US disclosed
US-6730470-B2 SENSITIVITY, HIGH DEVELOPING SPEED AND LITTLE PERFORMANCE FLUCTUATION DUE TO VARIATION OF HEAT DEVELOPMENT TEMPERATURE FUJI PHOTO FILM CO., LTD. (JP) 2004-05-04 US disclosed
EP-1041435-A1 Heat-developable photographic material FUJI PHOTO FILM CO., LTD. (JP) 2000-10-04 EP disclosed
US-6114106-A COMPRISING ORGANIC SILVER SALT, REDUCING AGENT, PHOTOSENSITIVE SILVER HALIDE, AND ANTI-IRRADIATION PIGMENT, AND LIGHT-INSENSITIVE LAYER FUJI PHOTO FILM CO., LTD. (JP) 2000-09-05 US disclosed
EP-1014178-A1 Photothermographic or thermographic material FUJI PHOTO FILM CO., LTD. (JP) 2000-06-28 EP disclosed
US-6071687-A COMPRISING A PHOTOSENSITIVE SILVER HALIDE EMULSION LAYER CONTAINING A NON-PHOTOSENSITIVE ORGANIC SILVER SALT, A REDUCING AGENT AND BINDER; GOOD COVERING POWER AND SILVER TONE, LOW GRAININESS FUJI PHOTO FILM CO., LTD. (JP) 2000-06-06 US disclosed
EP-0962812-A1 Aqueous dispersion of fatty acid silver salt particles, method for redispersing fatty acid silver salt particles, photothermographic light-sensitive material, and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1999-12-08 EP disclosed
EP-0501586-B1 Polymers of carbon monoxide with olefinically unsaturated compounds SHELL INT RESEARCH (NL) 1997-05-02 EP disclosed
EP-0501586-A2 Polymers of carbon monoxide with olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-09-02 EP disclosed
US-5047310-A Photographic process of heating during development after image exposure with a conductive layer containing carbon black FUJI PHOTO FILM CO., LTD. (JP) 1991-09-10 US disclosed
US-4710450-A DYE TRANSFER FROM ELECTRO-HEATED CONDUCTIVE LAYER FUJI PHOTO FILM CO., LTD. (JP) 1987-12-01 US disclosed
US-4643964-A COMPOSED OF ELECTROCONDUCTIVE PARTICLES, MELTABLE COMPOUND AND HYDROPHILIC BINDER FUJI PHOTO FILM CO., LTD. (JP) 1987-02-17 US disclosed