SCHEMBL9707064

SCHEMBL9707064

CC(Cc1ccc(OC(C)(C)C(=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1.[Na+]

nearest known ligand 0.49

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 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.49
CNR2 P34972 7/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PPARA Q07869 5/20 0.48
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
FPR2 P25090 1/20 0.44

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
SCHEMBL9707068 1.00 CNR1 (0.49) CNR1CNR2POLBTDP1PPARA
SCHEMBL9707015 1.00 CNR1 (0.49) CNR1CNR2POLBTDP1PPARA
SCHEMBL9707057 0.90 CNR1 (0.50) CNR1CNR2POLBTDP1PPARA
SCHEMBL9303566 0.90 PPARA (0.56) CNR1CNR2POLBTDP1PPARA
SCHEMBL9707086 0.90 PPARA (0.56) CNR1CNR2POLBTDP1PPARA
SCHEMBL9707059 0.90 ALDH1A1 (0.49) CNR1CNR2POLBPPARA
SCHEMBL9707054 0.90 ALDH1A1 (0.49) CNR1CNR2POLBPPARA
SCHEMBL9707106 0.90 ALDH1A1 (0.48) POLBTDP1PPARAEGFR
SCHEMBL9707049 0.87 CNR1 (0.47) CNR1CNR2POLBTDP1PPARA
SCHEMBL9707056 0.87 CNR1 (0.47) CNR1CNR2POLBTDP1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP disclosed