SCHEMBL3341069

SCHEMBL3341069

Cc1cc(C(=O)[O-])c(C)c(C(=O)[O-])c1S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.32

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
CA1 known ✓ P00915 2/20 0.32
CA2 known ✓ P00918 2/20 0.32
CA4 known ✓ P22748 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
DHODH Q02127 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
PHLPP2 Q6ZVD8 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
SCHEMBL3224857 0.87 CA1 (0.32) CA1CA2CA4ALDH1A1LMNA
Lithium Ion SCHEMBL758180 0.83 FABP4 (0.31) ALDH1A1LMNAMAPK1PHLPP2
Potassium Ion SCHEMBL9246632 0.83 FABP4 (0.31) ALDH1A1LMNAMAPK1PHLPP2
SCHEMBL11436441 0.77 LMNA (0.34) CA1CA2CA4ALDH1A1LMNA
SCHEMBL13836247 0.75 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL3337730 0.75 CA1 (0.32) CA1CA2CA4ALDH1A1LMNA
Lithium Ion SCHEMBL2469320 0.75 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL13835464 0.75 ALDH1A1 (0.30) ALDH1A1LMNA
Potassium Ion SCHEMBL9246627 0.75 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL27772745 0.75 PHLPP2 (0.39) ALDH1A1LMNAMAPK1PHLPP2

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