SCHEMBL6016329

SCHEMBL6016329

CC(C)OC(=O)C(CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.85
ITGAV P06756 20/20 0.85
ITGA2B P08514 19/20 0.85

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
SCHEMBL6016326 1.00 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL6016423 0.93 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL6016177 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016151 0.91 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL3366048 0.87 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL6448110 0.87 ITGB3 (0.64) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL3366046 0.86 ITGB3 (0.64) ITGB3ITGAVITGA2B
Acetic Acid SCHEMBL3369129 0.85 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL6016325 0.82 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL3370168 0.79 ITGB3 (0.64) 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
EP-1086098-B1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2006-04-05 EP disclosed