SCHEMBL6800455

SCHEMBL6800455

O=C(O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.65
ITGA2B P08514 1/20 0.65
PTPN1 P18031 5/20 0.61
CTSL P07711 2/20 0.59
ACE P12821 2/20 0.59
GPR132 Q9UNW8 3/20 0.58
CA2 P00918 3/20 0.55
CA1 P00915 1/20 0.55
PTPN2 P17706 1/20 0.55
CDC25B P30305 1/20 0.55
ITGB1 P05556 1/20 0.54
ITGAV P06756 1/20 0.54
ITGA5 P08648 1/20 0.54
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL16611508 0.92 ITGB3 (0.62) ITGB3ITGA2BPTPN1CTSLACE
SCHEMBL16611507 0.92 ITGB3 (0.62) ITGB3ITGA2BPTPN1CTSLACE
SCHEMBL11746806 0.90 CTSL (0.71) ITGB3ITGA2BPTPN1CTSLACE
SCHEMBL10802837 0.90 CTSL (0.71) ITGB3ITGA2BPTPN1CTSLACE
SCHEMBL9461442 0.86 PTPN1 (0.73) ITGB3ITGA2BPTPN1ACEGPR132
SCHEMBL9461443 0.86 PTPN1 (0.73) ITGB3ITGA2BPTPN1ACEGPR132
SCHEMBL9461988 0.86 PTPN1 (0.73) ITGB3ITGA2BPTPN1ACEGPR132
SCHEMBL528464 0.85 ACE (0.76) ITGB3ITGA2BPTPN1CTSLACE
SCHEMBL111235 0.85 ACE (0.76) ITGB3ITGA2BPTPN1CTSLACE
SCHEMBL111236 0.85 ACE (0.76) ITGB3ITGA2BPTPN1CTSLACE

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-6733986-B1 IMPORTANT IN MEDICINE, AGRIFOODS INDUSTRY, ENVIRONMENTAL CONTROL BIO MERIEUX (FR) 2004-05-11 US disclosed