SCHEMBL7980557

SCHEMBL7980557

O=C(NC(CNC(=O)c1cccc2c1cnn2CCCNc1ccccn1)C(=O)O)OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.75
ITGAV P06756 18/20 0.75
ITGA2B P08514 9/20 0.60
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL7979147 0.88 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7982154 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7969300 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7982161 0.83 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7353336 0.82 ITGB3 (0.72) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982939 0.81 ITGB3 (0.93) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982934 0.81 ITGB3 (0.93) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982731 0.81 ITGB3 (0.90) ITGB3ITGAVITGA2B
SCHEMBL7352205 0.81 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7349313 0.80 ITGAV (0.62) 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 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