SCHEMBL9617409

SCHEMBL9617409

CCCCCN(CCc1ccccc1)C(=O)C(CCC(=O)OC)C[S+]([O-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.43
CCKAR P32238 2/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
IGF2BP2 Q9Y6M1 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL9645617 0.93 TRPV1 (0.39) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9617402 0.92 LMNA (0.47) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9646074 0.82 CCKBR (0.44) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9645604 0.81 CCKBR (0.44) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9617418 0.80 CCKBR (0.39) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9646313 0.79 CCKBR (0.41) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9646121 0.75 MMP2 (0.43) CCKBRCCKARALDH1A1CA12TRPV1
SCHEMBL9647519 0.73 CCKBR (0.50) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9646092 0.73 LMNA (0.48) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9644811 0.72 CCKAR (0.48) CCKBRCCKARLMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4036267-A None JP disclosed
EP-0508004-A1 Phenylsulfonylalkanoic acid compounds Kissei Pharmaceutical Co., Ltd. (JP) 1992-10-14 EP disclosed
US-5145869-A Treatment of irritable bowel syndrome, dyskinesia, pancreatist; hormone inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed
JP-H0436267-A PHENYLSULFINYLALKYLCARBOXYLIC ACID DERIVATIVE KISSEI PHARMACEUT CO LTD 1992-02-06 JP disclosed