SCHEMBL8091791

SCHEMBL8091791

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

nearest known ligand 0.52

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 15)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.52
CA1 known ✓ P00915 1/20 0.34
CA2 known ✓ P00918 1/20 0.34
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Lithium Ion SCHEMBL17456573 0.96 THRB (0.52) THRBTSHRALDH1A1RECQLGLA
SCHEMBL10883294 0.89 TSHR (0.51) THRBTSHRALDH1A1RECQLGLA
Tetrabuthylammonium SCHEMBL9405095 0.83 TSHR (0.54) THRBTSHRALDH1A1RECQLGLA
SCHEMBL3360755 0.82 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11727475 0.82 TSHR (0.38) THRBTSHRALDH1A1RECQLGLA
SCHEMBL19463944 0.81 TSHR (0.69) THRBTSHRALDH1A1RECQLGLA
SCHEMBL10979538 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL154342 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1533415 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Sulfuric Acid SCHEMBL1683726 0.80 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714340-A LAYER CONTAINING LABELED LIGAND, BEAD SPREADING LAYER, CROSSLINKED HYDROPHILIC POLYMER LAYER AND A SUPPORT JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1998-02-03 US claimed
EP-0699908-B1 Immunoassay elements having stable leuco dye coatings JOHNSON & JOHNSON CLIN DIAG (US) 2000-11-22 EP disclosed
EP-0699905-B1 Leuco dye coating compositions JOHNSON & JOHNSON CLIN DIAG (US) 2000-05-17 EP disclosed
US-5714340-A LAYER CONTAINING LABELED LIGAND, BEAD SPREADING LAYER, CROSSLINKED HYDROPHILIC POLYMER LAYER AND A SUPPORT JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1998-02-03 US disclosed
EP-0699905-A1 Leuco dye coating compositions JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-03-06 EP disclosed
EP-0699908-A2 Immunoassay elements having stable leuco dye coatings JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-03-06 EP disclosed
US-5496702-A TRIARYLIMIDAZOLE DYES, NONIONIC SURFACTANTS JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-03-05 US 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-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-4207109-A Element for photographic use containing crosslinkable polymers having acrylamidophenol units EASTMAN KODAK COMPANY (US) 1980-06-10 US disclosed
US-4194063-A ENZYMATIC DECOMPOSITION TO AMMONIA WHICH REACTS WITH A BETA-DIKETONE AND FORMALDEHYDE TO FORM A DIHYDROPYRIDINE EASTMAN KODAK COMPANY (US) 1980-03-18 US disclosed
US-4115124-A WITH POLYVINYLIMIDAZOLE EASTMAN KODAK COMPANY (US) 1978-09-19 US disclosed
US-4106941-A PHOTOSTABILITY EASTMAN KODAK COMPANY (US) 1978-08-15 US disclosed
US-4064168-A HOMO- AND COPOLYMERS THEREOF ARE USEFUL AS VESICULATING MATRICES EASTMAN KODAK COMPANY (US) 1977-12-20 US disclosed
US-4057428-A SILVER HALIDE EMULSION EASTMAN KODAK COMPANY (US) 1977-11-08 US disclosed
US-4035187-A TRANSITION METAL-ION COMPLEXES EASTMAN KODAK COMPANY (US) 1977-07-12 US disclosed
US-4032518-A N-(VINYLPHENYL) SULFONAMIDES EASTMAN KODAK COMPANY (US) 1977-06-28 US disclosed
US-4011201-A POLYMERS OF MONOMERS CONTAINING ACTIVE METHYLENE GROUPS AND OTHER ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1977-03-08 US disclosed
US-3939130-A Polymers of monomers containing active methylene groups and other ethylenically unsaturated monomers INDICON INC. (US) 1976-02-17 US disclosed