SCHEMBL7985993

SCHEMBL7985993

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2CC(CCCCNc3nc(C)c[nH]3)NO2)C(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.52
ITGA2B P08514 18/20 0.52
ITGAV P06756 17/20 0.52

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
SCHEMBL7986014 0.88 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7980567 0.88 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7404741 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7980566 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7969330 0.85 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7982182 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7403109 0.83 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7401778 0.83 ITGAV (0.51) ITGB3ITGA2BITGAV
SCHEMBL7969108 0.83 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7402705 0.83 ITGB3 (0.48) ITGB3ITGA2BITGAV

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-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed