SCHEMBL7985893

SCHEMBL7985893

Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)NC(CNC(=O)c1cccc2c(CCCNC3NCCN3)n[nH]c12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.44
ITGB3 P05106 16/20 0.44
ITGA2B P08514 13/20 0.44
ITGB1 P05556 3/20 0.37
ITGA5 P08648 3/20 0.37
ITGB5 P18084 2/20 0.37

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
SCHEMBL7982795 0.91 ITGB3 (0.41) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7982790 0.89 ITGB3 (0.41) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7980535 0.88 ITGB3 (0.43) ITGAVITGB3ITGA2B
SCHEMBL7979200 0.87 ITGB3 (0.44) ITGAVITGB3ITGA2B
SCHEMBL7969254 0.86 ITGB3 (0.46) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7985888 0.86 ITGAV (0.52) ITGAVITGB3ITGA2B
SCHEMBL7355763 0.85 ITGB3 (0.58) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7985819 0.84 ITGB3 (0.61) ITGAVITGB3ITGA2B
SCHEMBL7982887 0.81 ITGAV (0.64) ITGAVITGB3ITGA2B
SCHEMBL7969234 0.81 ITGAV (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 2 patents. 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 claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed