SCHEMBL7974527

SCHEMBL7974527

CC(C)(C)c1ccc(COC(=O)N[C@@H](CNC(=O)CN2C(=O)N[C@@H](CCCNc3nc4ccccc4[nH]3)C2=O)C(=O)O)cc1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.87
ITGAV P06756 20/20 0.87
ITGA2B P08514 9/20 0.62
ITGB5 P18084 1/20 0.44

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
SCHEMBL7217507 1.00 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217600 0.93 ITGB3 (0.93) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211537 0.92 ITGB3 (0.91) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211444 0.87 ITGB3 (0.87) ITGB3ITGAVITGA2B
SCHEMBL7211462 0.86 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7212703 0.85 ITGB3 (0.83) ITGB3ITGAVITGA2B
SCHEMBL7217525 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL7974536 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217730 0.84 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL7211652 0.82 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5

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-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed