SCHEMBL7541832

SCHEMBL7541832

COC(=O)CCc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.55
ACE P12821 1/20 0.52
MAPK1 P28482 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CCKBR P32239 1/20 0.49

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
SCHEMBL4608263 0.87 ACE (0.57) ACEITGB3ITGA2B
SCHEMBL14021754 0.87 ACE (0.57) ACEITGB3ITGA2B
SCHEMBL6479977 0.86 FOLH1 (0.62) RENACEMAPK1ITGB3ITGA2B
SCHEMBL3824374 0.86 REN (0.71) RENACEMAPK1
SCHEMBL17629479 0.86 REN (0.71) RENACEMAPK1
SCHEMBL19341935 0.86 REN (0.71) RENACEMAPK1
SCHEMBL21244275 0.86 REN (0.71) RENACEMAPK1
SCHEMBL3499528 0.86 REN (0.71) RENACEMAPK1
SCHEMBL4608329 0.85 ITGB3 (0.58) ACEITGB3ITGA2B
SCHEMBL14021672 0.85 ITGB3 (0.58) ACEITGB3ITGA2B

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed