SCHEMBL3900422

SCHEMBL3900422

CC(C)(C)OC(=O)N[C@@H](CCOc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PTPN1 P18031 3/20 0.48
GPR34 Q9UPC5 1/20 0.48
PPARG P37231 1/20 0.46
CTSS P25774 10/20 0.46
CTSK P43235 8/20 0.46
CTSB P07858 4/20 0.45
EGLN2 Q96KS0 1/20 0.45
CTSL P07711 2/20 0.45
ACE P12821 1/20 0.43

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
SCHEMBL3898190 1.00 ITGB3 (0.48) ITGB3ITGA2BPTPN1GPR34PPARG
SCHEMBL3900080 1.00 ITGB3 (0.48) ITGB3ITGA2BPTPN1GPR34PPARG
SCHEMBL17492189 0.89 PTPN1 (0.49) ITGB3ITGA2BPTPN1GPR34PPARG
SCHEMBL17492191 0.89 PTPN1 (0.49) ITGB3ITGA2BPTPN1GPR34PPARG
SCHEMBL11370281 0.88 ITGB3 (0.55) ITGB3ITGA2BPTPN1PPARGCTSS
SCHEMBL9089276 0.86 ITGB3 (0.58) ITGB3ITGA2BPTPN1PPARGCTSS
SCHEMBL9089268 0.86 ITGB3 (0.58) ITGB3ITGA2BPTPN1PPARGCTSS
SCHEMBL9089274 0.86 ITGB3 (0.58) ITGB3ITGA2BPTPN1PPARGCTSS
SCHEMBL11457050 0.85 ITGB3 (0.47) ITGB3ITGA2BPTPN1PPARGCTSS
SCHEMBL1336085 0.83 CTSS (0.61) PTPN1PPARGCTSSCTSKCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed