SCHEMBL7986072

SCHEMBL7986072

O=C(CC1CC(CCCNC2NCCN2)ON1)NCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGA2B P08514 12/20 0.48
ITGAV P06756 17/20 0.46

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
SCHEMBL7410326 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7401809 0.88 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7982685 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7398391 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7406835 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7980609 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7398405 0.82 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7352359 0.82 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7403744 0.78 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7402209 0.75 ITGB3 (0.43) ITGB3ITGA2BITGAV

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