SCHEMBL9558985

SCHEMBL9558985

CCCCCN(CCOC(C)=O)C(=O)C(CCC(=O)OCc1ccccc1)CSc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.46
PLA2G2A P14555 2/20 0.41
PLA2G10 O15496 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.34
MC4R P32245 2/20 0.34
MC5R P33032 2/20 0.34
MC3R P41968 2/20 0.34

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
SCHEMBL9559129 0.84 CCKBR (0.45) CCKBRMEN1ALDH1A1HPGDKMT2A
SCHEMBL9558864 0.82 CCKBR (0.48) CCKBRPLA2G2APLA2G10ALDH1A1CYP3A4
SCHEMBL9558499 0.78 CASP1 (0.41) PLA2G2APLA2G10ALDH1A1EGFR
SCHEMBL9558991 0.74 PLA2G2A (0.42) CCKBRPLA2G2APLA2G10CYP3A4CYP2C9
SCHEMBL9558893 0.73 CCKBR (0.47) CCKBRALDH1A1HPGD
SCHEMBL9645604 0.72 CCKBR (0.44) CCKBRALDH1A1CYP3A4CYP2C9
SCHEMBL9559037 0.71 GAA (0.46) CCKBRMEN1ALDH1A1HPGDKMT2A
SCHEMBL9644811 0.69 CCKAR (0.48) CCKBRALDH1A1CYP3A4CYP2C9
SCHEMBL9645573 0.69 CCKAR (0.39) CCKBRALDH1A1CYP3A4CYP2C9
SCHEMBL9558477 0.67 PLA2G2A (0.45) PLA2G2APLA2G10ALDH1A1HPGDCYP3A4

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