SCHEMBL3337730

SCHEMBL3337730

Cc1c(C(=O)[O-])cc(S(=O)(=O)O)c(C(=O)[O-])c1C.[Na+].[Na+]

nearest known ligand 0.33

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 12)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.32
CA2 known ✓ P00918 1/20 0.32
CA4 known ✓ P22748 1/20 0.32
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL9403857 0.88 CA1 (0.33) CA1CA2CA4DHODHALDH1A1
SCHEMBL13835464 0.83 ALDH1A1 (0.30) ALDH1A1CASP1CASP7HSD17B10TDP1
Lithium Ion SCHEMBL2469320 0.83 ALDH1A1 (0.30) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL13836247 0.83 ALDH1A1 (0.30) ALDH1A1CASP1CASP7HSD17B10TDP1
Potassium Ion SCHEMBL9246627 0.83 ALDH1A1 (0.30) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL6932197 0.80 CA1 (0.35) CA1CA2CA4ALDH1A1CASP1
SCHEMBL5697529 0.80 ALDH1A1 (0.35) CA1CA2CA4ALDH1A1CASP1
SCHEMBL672196 0.76 NFKB1 (0.33) CA1CA2CA4TDP1LMNA
SCHEMBL7733291 0.76 CA1 (0.30) CA1CA2CA4
SCHEMBL3338207 0.76 CA1 (0.30) CA1CA2CA4

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