SCHEMBL9528080

SCHEMBL9528080

CCCN1CCC(Cc2ccc3c(c2)c(Cc2ccc(C(=O)NS(=O)(=O)c4ccccc4C)cc2OC)cn3CCC)C1S

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.56
EPHX2 P34913 2/20 0.56
PPARG P37231 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56

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
SCHEMBL9527266 0.88 PLA2G4A (0.57) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9526799 0.87 PLA2G4A (0.56) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9526609 0.87 PLA2G4A (0.56) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9526909 0.87 PLA2G4A (0.57) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9528115 0.86 CYSLTR2 (0.52) CYSLTR1
SCHEMBL9528148 0.85 CYSLTR2 (0.58) PLA2G4ACYSLTR1
SCHEMBL9373246 0.82
SCHEMBL9528455 0.82 EPHX2 (0.62) PLA2G4AEPHX2PPARGCYSLTR1
SCHEMBL9380011 0.81
SCHEMBL9375770 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed