SCHEMBL9633828

SCHEMBL9633828

COc1cc(C(=O)O)ccc1Cc1cccc2ccc(N(C(C)=O)C3CCCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 12/20 0.45
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
LTB4R Q15722 2/20 0.40

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
SCHEMBL9633663 0.92 MTNR1A (0.38) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9633747 0.83 EPHX2 (0.53) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9634171 0.81 PLA2G4A (0.53) PLA2G4ALTB4R
SCHEMBL9635044 0.78 CYSLTR2 (0.39) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9634970 0.76 NQO2 (0.49) PLA2G4ALTB4R
SCHEMBL9634717 0.76 PLA2G4A (0.51) PLA2G4ALTB4R
SCHEMBL9633815 0.76 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL9825747 0.74 CYSLTR1 (0.48) PLA2G4ACYSLTR2CYSLTR1
SCHEMBL9555865 0.74 PLA2G4A (0.53) PLA2G4ACYSLTR2CYSLTR1LTB4R
SCHEMBL8901038 0.74 EPHX2 (0.41) PLA2G4ACYSLTR2CYSLTR1

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-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed