SCHEMBL3341067

SCHEMBL3341067

COC(=O)c1ccc(S(=O)(=O)O)c(C(=O)[O-])c1C.[Na+]

nearest known ligand 0.40

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
▸ CA2 known ✓ P00918 4/20 0.39
▸ CA1 known ✓ P00915 2/20 0.39
▸ CA12 known ✓ O43570 1/20 0.35
▸ PDK2 known ✓ Q15119 1/20 0.35
▸ PDK4 known ✓ Q16654 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CA9 Q16790 2/20 0.39
▸ CA5A P35218 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ GLA P06280 2/20 0.33

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
SCHEMBL28940803 0.74 CA2 (0.45) FFAR4CA2CA1CA9CA5A
SCHEMBL3337736 0.72 PDGFRB (0.38) CA2CA1CA9CA5ACDK1
SCHEMBL1039798 0.72 FFAR4 (0.30) FFAR4
SCHEMBL4700846 0.71 CA1 (0.45) FFAR4CA2CA1CA9CA5A
SCHEMBL3422644 0.71 CA12 (0.54) FFAR4CA2CA1CA9LMNA
SCHEMBL3337730 0.70 CA1 (0.32) CA2CA1LMNAHSD17B10ALDH1A1
SCHEMBL9437987 0.70 CA1 (0.47) FFAR4CA2CA1CA9CA5A
SCHEMBL2470421 0.70 CA1 (0.56) FFAR4CA2CA1CA9CA5A
SCHEMBL1940639 0.70 ALDH1A1 (0.39) FFAR4CA2CA1CA9CA5A
SCHEMBL8759762 0.70 VCAM1 (0.50) LMNASMN1; SMN2KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152408-A1 MANUFACTURING METHOD OF BIODEGRADABLE WATER-BASED POLYESTER RESIN JAYEONSARANG CO., LTD. (KP) 2010-06-17 — — US disclosed
EP-2102266-A1 MANUFACTURING METHOD OF BIODEGRADABLE WATER-BASED POLYESTER RESIN Jayeonsarang CO. LTD (KR) 2009-09-23 — — EP disclosed
WO-2008075924-A1 MANUFACTURING METHOD OF BIODEGRADABLE WATER-BASED POLYESTER RESIN JAYEONSARANG CO. LTD (KR) 2008-06-26 — — WO disclosed
Send feedback