SCHEMBL10702020

SCHEMBL10702020

C=CC(=O)OCCC(C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.38
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4776174 0.84 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5052638 0.83 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10702026 0.81 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Potassium Ion SCHEMBL15313031 0.79 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11574747 0.79 ALOX15 (0.43) TSHRALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL8736815 0.77 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.76 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.76 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.76 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL28783854 0.74 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273679-A2 Improved method for effecting enzymatic reactions and an enzymatic reactor useful therein EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-07-06 EP claimed
US-4011201-A POLYMERS OF MONOMERS CONTAINING ACTIVE METHYLENE GROUPS AND OTHER ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1977-03-08 US claimed
US-3939130-A Polymers of monomers containing active methylene groups and other ethylenically unsaturated monomers INDICON INC. (US) 1976-02-17 US claimed
EP-0273679-A2 Improved method for effecting enzymatic reactions and an enzymatic reactor useful therein EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-07-06 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
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-4088499-A METHYLENE GROUP CONTAINING POLYMERS EASTMAN KODAK COMPANY (US) 1978-05-09 US disclosed
US-4052367-A RADIATION SENSITIVE POLYMERS OF OXYGEN-SUBSTITUTED MALEIMIDES AND ELEMENTS CONTAINING SAME EASTMAN KODAK COMPANY (US) 1977-10-04 US disclosed
US-4048146-A PHOTORESISTS EASTMAN KODAK COMPANY (US) 1977-09-13 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