SCHEMBL9617418

SCHEMBL9617418

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.39
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CCKAR P32238 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
SCHEMBL9646313 0.89 CCKBR (0.41) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9617402 0.87 LMNA (0.47) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9617409 0.80 CCKBR (0.43) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9645652 0.78 CCKBR (0.40) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9646243 0.71 MCHR1 (0.48) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9646092 0.68 LMNA (0.48) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9645565 0.67 THRA (0.44) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9558864 0.67 CCKBR (0.48) CCKBRLMNACYP3A4CYP2C9ALDH1A1
SCHEMBL9644811 0.67 CCKAR (0.48) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9645573 0.66 CCKAR (0.39) CCKBRLMNACYP3A4CYP2C9TSHR

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-4036268-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-H0436268-A PHENYLSULFINYLALKYLCARBOXYLIC ACID DERIVATIVE KISSEI PHARMACEUT CO LTD 1992-02-06 JP disclosed