SCHEMBL9558477

SCHEMBL9558477

COC(=O)CCC(CSc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.45
PLA2G10 O15496 2/20 0.45
ANPEP P15144 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC1A1 P43005 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
BACE1 P56817 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
USP2 O75604 1/20 0.39
PRNP P04156 1/20 0.39

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 0.87 ANPEP (0.46) PLA2G2APLA2G10ANPEPALDH1A1MAPT
SCHEMBL9558884 0.85 PLA2G2A (0.49) PLA2G2APLA2G10ANPEPBACE1
SCHEMBL9558499 0.84 CASP1 (0.41) PLA2G2APLA2G10ANPEPALDH1A1LMNA
SCHEMBL9645693 0.84 SLC1A1 (0.43) ALDH1A1MAPTLMNACYP3A4CYP2C9
SCHEMBL9645703 0.82 L3MBTL1 (0.42) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL9558864 0.81 CCKBR (0.48) PLA2G2APLA2G10ALDH1A1LMNACYP3A4
SCHEMBL9618400 0.78 MAPT (0.43) PLA2G2APLA2G10ANPEPMAPTCYP3A4
SCHEMBL9558996 0.78 CASR (0.41) PLA2G2APLA2G10MAPT
SCHEMBL5279103 0.77 ANPEP (0.48) PLA2G2APLA2G10ANPEPCYP3A4CYP2C9
SCHEMBL9365053 0.77 EPHX1 (0.46) ANPEPALDH1A1MAPTLMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5177069-A Cholecystokinin inhibitor, pancreatic antisecretory agent KISSEI PHARMACEUTICAL CO., LTD. (JP) 1993-01-05 US disclosed
EP-0433064-A1 Naphthylsulfonylalkanoic acid compounds Kissei Pharmaceutical Co., Ltd. (JP) 1991-06-19 EP disclosed