SCHEMBL9645652

SCHEMBL9645652

CCCCCN(CCCCC)C(=O)C(CCC(=O)OC)CSc1ccc(C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.40
EGFR P00533 1/20 0.37
CCKAR P32238 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 2/20 0.35
PLA2G2A P14555 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
PLA2G10 O15496 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
SCHEMBL9644811 0.87 CCKAR (0.48) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9558864 0.87 CCKBR (0.48) CCKBRPPARGPPARALMNAPLA2G2A
SCHEMBL9645573 0.84 CCKAR (0.39) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9645693 0.81 SLC1A1 (0.43) EGFRPPARGPPARALMNACYP3A4
SCHEMBL9645604 0.80 CCKBR (0.44) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9558991 0.78 PLA2G2A (0.42) CCKBRPPARGPPARALMNAPLA2G2A
SCHEMBL9617418 0.78 CCKBR (0.39) CCKBRCCKARLMNACYP3A4CYP2C9
SCHEMBL9646243 0.70 MCHR1 (0.48) CCKBRLMNACYP3A4CYP2C9TSHR
SCHEMBL9558985 0.70 CCKBR (0.46) CCKBREGFRPLA2G2ACYP3A4CYP2C9
SCHEMBL9646313 0.69 CCKBR (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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