SCHEMBL14609587

SCHEMBL14609587

CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C(=O)CCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGAV P06756 2/20 0.60
ITGB1 P05556 1/20 0.60
ITGA5 P08648 1/20 0.60
ITGB5 P18084 1/20 0.60
PTPN1 P18031 1/20 0.53
PIN1 Q13526 3/20 0.47
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PARP1 P09874 1/20 0.39
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PPARD Q03181 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
SCHEMBL14609323 0.91 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609159 0.89 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609586 0.89 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609135 0.84 ITGB3 (0.68) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609161 0.83 PTPN1 (0.59) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609347 0.80 ITGB3 (0.78) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609237 0.80 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609157 0.80 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609334 0.79 ITGB3 (0.71) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14609131 0.78 ITGB3 (0.77) ITGB3ITGAVITGB1ITGA5ITGB5

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-1135374-B9 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-02-21 EP disclosed