SCHEMBL7982063

SCHEMBL7982063

CCCCOC(=O)NC(CNC(=O)c1cc(OCCCNC2NCCN2)no1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.42
ITGA2B P08514 18/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL7396418 0.89 SMPD1 (0.39) ITGB3ITGA2BSMPD1
SCHEMBL6111432 0.88 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7396416 0.88 ITGB3 (0.40) ITGB3ITGA2BSMPD1
SCHEMBL7969118 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7980585 0.85 ITGB3 (0.45) ITGB3ITGA2BSMPD1
SCHEMBL7401929 0.83 ITGB3 (0.47) ITGB3ITGA2BSMPD1
SCHEMBL7401916 0.81 ITGB3 (0.37) ITGB3ITGA2BSMPD1
SCHEMBL7979125 0.79 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7982195 0.78 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7407939 0.77 SMPD1 (0.42) ITGB3ITGA2BSMPD1

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