SCHEMBL7979032

SCHEMBL7979032

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2CC(CCCC(=O)Nc3nc(C)c(C)[nH]3)NO2)C(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.51
ITGB3 P05106 16/20 0.51
ITGA2B P08514 16/20 0.51
ITGB1 P05556 2/20 0.40
ITGA5 P08648 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
SCHEMBL7980567 0.90 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7405357 0.88 ITGAV (0.49) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7402690 0.87 ITGAV (0.67) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7407106 0.81 ITGB3 (0.47) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7401778 0.80 ITGAV (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7985993 0.80 ITGB3 (0.52) ITGAVITGB3ITGA2B
SCHEMBL7982182 0.78 ITGB3 (0.48) ITGAVITGB3ITGA2B
SCHEMBL7969330 0.78 ITGB3 (0.52) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7986014 0.78 ITGB3 (0.67) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7402705 0.78 ITGB3 (0.48) ITGAVITGB3ITGA2BITGB1ITGA5

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