SCHEMBL3900448

SCHEMBL3900448

CCOC(=O)Oc1ccc(C[C@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TSHR P16473 1/20 0.41
APP P05067 3/20 0.40
SYK P43405 1/20 0.40
ACACB O00763 1/20 0.40
CTSS P25774 6/20 0.39
CTSK P43235 5/20 0.39
HDAC8 Q9BY41 1/20 0.39
PCNA P12004 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PTPN1 P18031 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL7465898 0.90 ATM (0.51) ATMPPARGPPARAITGB3ITGA2B
SCHEMBL7465905 0.90 ATM (0.51) ATMPPARGPPARAITGB3ITGA2B
SCHEMBL21852432 0.85 ACACB (0.51) ATMITGB3ITGA2BACACBHDAC8
SCHEMBL21852417 0.85 ACACB (0.51) ATMITGB3ITGA2BACACBHDAC8
SCHEMBL1759628 0.83 ATM (0.52) ATMPPARGPPARAAPPSYK
SCHEMBL1759626 0.83 ATM (0.52) ATMPPARGPPARAAPPSYK
SCHEMBL22734404 0.83 ATM (0.53) ATMITGB3ITGA2BAPPACACB
SCHEMBL20661670 0.83 ATM (0.53) ATMPPARGPPARAITGB3ITGA2B
SCHEMBL13919604 0.83 ATM (0.53) ATMITGB3ITGA2BAPPACACB
SCHEMBL22774852 0.83 ATM (0.53) ATMITGB3ITGA2BAPPACACB

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