SCHEMBL7979245

SCHEMBL7979245

O=C(NC(CNC(=O)C1CC(CCCCNc2ncc[nH]2)NO1)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.53
ITGAV P06756 17/20 0.53
ITGA2B P08514 12/20 0.53

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
SCHEMBL7979135 0.95 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7405506 0.84 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7401802 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7982746 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7980609 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7979235 0.82 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7400841 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7404992 0.81 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7406835 0.80 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7979129 0.80 ITGB3 (0.65) ITGB3ITGAVITGA2B

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