SCHEMBL9850035

SCHEMBL9850035

COC(C=O)CC(CSc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.44
CTSB P07858 1/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ANPEP P15144 1/20 0.39
PLA2G10 O15496 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G2A P14555 2/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
BACE1 P56817 5/20 0.37
EPHX1 P07099 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9558971 0.78 ANPEP (0.46) CAPN1CTSBCYP3A4CYP2C9CYP2C19
SCHEMBL9558477 0.76 PLA2G2A (0.45) CAPN1CTSBCYP3A4CYP2C9CYP2C19
SCHEMBL5279103 0.75 ANPEP (0.48) CYP3A4CYP2C9CYP2C19ANPEPPLA2G10
SCHEMBL9558884 0.73 PLA2G2A (0.49) ANPEPPLA2G10PLA2G2ABACE1
SCHEMBL5950912 0.69 PPARG (0.51) CAPN1CTSBCYP3A4CYP2C9CYP2C19
SCHEMBL5950916 0.69 PPARG (0.51) CAPN1CTSBCYP3A4CYP2C9CYP2C19
SCHEMBL11863901 0.69 KIF11 (0.58) CYP3A4CYP2C9CYP2C19ANPEPGRIK1
SCHEMBL11863917 0.69 KIF11 (0.58) CYP3A4CYP2C9CYP2C19ANPEPGRIK1
SCHEMBL9644585 0.69 GRIK1 (0.45) CAPN1CTSBCYP3A4CYP2C9CYP2C19
SCHEMBL9558499 0.68 CASP1 (0.41) ANPEPPLA2G10ALDH1A1LMNAPLA2G2A

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-0433064-A1 Naphthylsulfonylalkanoic acid compounds Kissei Pharmaceutical Co., Ltd. (JP) 1991-06-19 EP disclosed