SCHEMBL7410567

SCHEMBL7410567

CCCS(=O)(=O)NC(CNC(=O)C1=NOC(CCCNC2NC=CCN2)C1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGA2B P08514 20/20 0.48
ITGAV P06756 19/20 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
SCHEMBL7402626 0.94 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7406726 0.86 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7406676 0.85 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL7407014 0.84 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7402579 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7402819 0.79 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7402212 0.79 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7405016 0.78 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7397845 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7405039 0.76 ITGB3 (0.45) 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 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 disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed