SCHEMBL7985891

SCHEMBL7985891

O=C(NC(CNC(=O)c1cccc2c1cnn2CCCNC1N=CCCN1)C(=O)O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 19/20 0.69
ITGA2B P08514 5/20 0.48

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
SCHEMBL7982161 0.89 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7980510 0.86 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7980499 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7985895 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7986081 0.82 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7969114 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7982154 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7980684 0.81 ITGAV (0.53) ITGB3ITGAVITGA2B
SCHEMBL7980493 0.81 ITGAV (0.60) ITGB3ITGAVITGA2B
SCHEMBL7980550 0.80 ITGAV (0.60) 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