SCHEMBL8746515

SCHEMBL8746515

C=C(C)C(=O)OCCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.56

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
THRB known ✓ P10828 1/20 0.44
CA2 known ✓ P00918 1/20 0.31
TSHR P16473 5/20 0.56
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THPO P40225 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BBOX1 O75936 2/20 0.33
EPHX2 P34913 2/20 0.33
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL18140257 0.98 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29217626 0.98 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10912317 0.98 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139287 0.97 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Potassium Ion SCHEMBL18140860 0.97 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18141701 0.97 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139436 0.97 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Lithium Ion SCHEMBL18139781 0.97 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18141162 0.95 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Potassium Ion SCHEMBL31302972 0.95 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
US-20180036995-A1 HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME MITSUI CHEMICALS, INC. (JP) 2018-02-08 US disclosed
EP-3270192-A1 HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF Mitsui Chemicals, Inc. (JP) 2018-01-17 EP disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed
EP-0421162-B1 Multilayer photographic elements having improved coating quality MINNESOTA MINING & MFG (US) 1997-01-08 EP disclosed
EP-0227358-B1 HOUSING PACK FOR PHOTOGRAPHIC PROCESSING SOLUTION KONICA CORPORATION (JP) 1992-08-12 EP disclosed
US-5015560-A Purification of photographic solutions bu absorption on a resin KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1991-05-14 US disclosed
EP-0201186-B1 METHOD OF TREATING PHOTOGRAPHIC WASTE SOLUTIONS AND AUTOMATIC PHOTOGRAPH PROCESSOR KONICA CORPORATION (JP) 1990-05-30 EP disclosed
US-4791013-A STORAGE AND WASTE COMPARTMENTS; OXYGEN BARRIER MEMBRANE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-12-13 US disclosed
EP-0227358-A2 Housing pack for photographic processing solution KONICA CORPORATION (JP) 1987-07-01 EP disclosed
EP-0201186-A1 Method of treating photographic waste solutions and automatic photograph processor KONICA CORPORATION (JP) 1986-11-12 EP disclosed
US-4611027-A CATIONIC POLYMERS, PROTECTIVE PHOTOGRAPHIC COATINGS EASTMAN KODAK COMPANY (US) 1986-09-09 US disclosed
US-4507385-A Acrylonitrile copolymers as protective overcoats in photographic elements EASTMAN KODAK COMPANY (US) 1985-03-26 US disclosed
EP-0048700-B1 COLOR PHOTOGRAPHIC ELEMENTS WITH IMPROVED MECHANICAL PROPERTIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-02-06 EP disclosed
US-4495273-A DROPS OF ORGANIC SOLVENT DISPERSED IN GELATIN TO REDUCE BRITTLENESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-01-22 US disclosed
EP-0123576-A2 Acrylonitrile copolymers, latex compositions and protective overcoats for photographic elements containing acrylonitrile copolymers EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-10-31 EP disclosed
US-4480025-A Water reservoir layers in bleach-fix sheets EASTMAN KODAK COMPANY (US) 1984-10-30 US disclosed
EP-0117165-A2 Bleach-fix sheet EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-08-29 EP disclosed
EP-0048700-A1 Color photographic elements with improved mechanical properties MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-31 EP disclosed