SCHEMBL7563282

SCHEMBL7563282

CCCCCNC(=O)N[C@@H](CNC(=O)c1ccc(OCCNC2=NCCN2)cc1O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.46
ITGAV P06756 19/20 0.46
ITGA2B P08514 2/20 0.39

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
SCHEMBL7033749 0.99 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7035994 0.99 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7030631 0.98 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL7030612 0.95 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7032371 0.95 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7036000 0.93 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7034884 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL7032288 0.91 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL7038265 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL7030494 0.90 ITGB3 (0.48) 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
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO disclosed