SCHEMBL9646121

SCHEMBL9646121

COC(=O)CCC(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.43
MMP9 P14780 6/20 0.43
MMP8 P22894 6/20 0.43
MMP1 P03956 5/20 0.42
MMP3 P08254 5/20 0.42
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CCKBR P32239 3/20 0.39
CCKAR P32238 1/20 0.38
RAB9A P51151 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL9646074 0.94 CCKBR (0.44) MMP2MMP9MMP8MMP1MMP3
SCHEMBL9646092 0.88 LMNA (0.48) ALDH1A1CCKBRCCKARNFE2L2
SCHEMBL9644787 0.86 MMP13 (0.39) ALDH1A1RAB9A
SCHEMBL9647519 0.84 CCKBR (0.50) MMP2MMP9MMP8MMP1MMP3
SCHEMBL9645617 0.81 TRPV1 (0.39) TRPV1ALDH1A1CA12CA7CA9
SCHEMBL9645572 0.79 CCKBR (0.57) ALDH1A1CCKBRCCKAR
SCHEMBL9646148 0.77 CCKAR (0.62) ALDH1A1CCKBRCCKAR
SCHEMBL9617409 0.75 CCKBR (0.43) TRPV1ALDH1A1CA12CCKBRCCKAR
SCHEMBL9645604 0.75 CCKBR (0.44) TRPV1ALDH1A1CCKBRCCKAR
SCHEMBL9559024 0.74 CCKBR (0.46) MMP1ALDH1A1CA12CCKBR

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