SCHEMBL9633708

SCHEMBL9633708

CCC(CC)CNC(=O)c1ccc2cccc(Cc3ccc(C(=O)OC)cc3OC)c2c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47

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
SCHEMBL9635029 0.92
SCHEMBL9634206 0.91 NQO2 (0.46) NQO2
SCHEMBL9633803 0.90 NQO2 (0.48) NQO2
SCHEMBL9635009 0.87
SCHEMBL9635490 0.84
SCHEMBL9633859 0.84
SCHEMBL9634970 0.82 NQO2 (0.49) NQO2
SCHEMBL9633761 0.82 GAA (0.46) NQO2
SCHEMBL9633804 0.81 NQO2 (0.48) NQO2
SCHEMBL9633886 0.79 MAPT (0.49) NQO2

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