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SCHEMBL10567331

SCHEMBL10567331

COC(=O)Cc1ccccc1NS(=O)(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 15/20 0.56
▸ ACLY P53396 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ APLNR P35414 1/20 0.41

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
SCHEMBL10573307 0.80 ACLY (0.43) PTGES2ACLYKDM4EALDH1A1HPGD
SCHEMBL12255166 0.79 MRGPRX1 (0.47) ACLY
SCHEMBL10572269 0.77 MAPT (0.48) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL10569374 0.75 PTGES2 (0.42) PTGES2ACLYKDM4EALDH1A1HPGD
SCHEMBL10570687 0.75 ALDH1A1 (0.51) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10570368 0.73 GAA (0.41) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3785089 0.72 PTGES2 (1.00) PTGES2
SCHEMBL27726183 0.72 L3MBTL1 (0.51) ALDH1A1HTTSMN1; SMN2
SCHEMBL5778304 0.70 PTGS1 (0.47) ACLYKDM4ESMN1; SMN2
SCHEMBL644961 0.70 ACLY (0.56) PTGES2ACLYALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803197-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1989-02-07 — — US disclosed