SCHEMBL9488306

SCHEMBL9488306

COc1cc(C(=O)O)ccc1Cc1c(Cl)n(C)c2ccc(CC(C)NC(=O)N(C)C)cc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 14/20 0.42
LTB4R Q15722 4/20 0.42
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL9491087 0.93 PLA2G4A (0.35) PLA2G4ALTB4R
SCHEMBL9489923 0.89 PLA2G4A (0.40) PLA2G4ALTB4RCYSLTR2CYSLTR1
SCHEMBL9490186 0.85 PLA2G4A (0.41) PLA2G4ALTB4RCYSLTR2CYSLTR1
SCHEMBL9491493 0.85 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9489982 0.84
SCHEMBL9488342 0.84 PLA2G4A (0.51) PLA2G4ALTB4R
SCHEMBL9489871 0.82 GLA (0.34) PLA2G4ALTB4R
SCHEMBL9490124 0.78 MAPT (0.39)
SCHEMBL9488885 0.77 PLA2G4A (0.43) PLA2G4A
SCHEMBL9489950 0.77 PLA2G4A (0.39) PLA2G4ALTB4RCYSLTR2CYSLTR1

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-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed