SCHEMBL7986069

SCHEMBL7986069

O=C(CC1=NOC(CCCNC2=NCCN2)C1)NCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 18/20 0.64
ITGA2B P08514 10/20 0.57

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
SCHEMBL7347923 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7398381 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7982676 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL7398397 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7406830 0.82 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7980601 0.82 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7404187 0.81 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL8552051 0.81 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7401811 0.80 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7400967 0.79 ITGB3 (0.59) 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