SCHEMBL3900446

SCHEMBL3900446

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
SYK P43405 1/20 0.42
ELANE P08246 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ATM Q13315 1/20 0.37
KDM1A O60341 1/20 0.37
CTSS P25774 6/20 0.37
CTSK P43235 5/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPRB P23467 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL14974845 0.83 LDHA (0.48) PPARGPPARASYKITGB3ITGA2B
SCHEMBL7836979 0.80 CTSS (0.54) SYKATMCTSSCTSKCTSL
SCHEMBL3900448 0.79 ATM (0.47) PPARGPPARASYKELANEITGB3
SCHEMBL10188447 0.79 ATM (0.56) SYKATMCTSSCTSKCTSL
SCHEMBL3900441 0.77 CTSK (0.44) PPARGPPARAELANEITGB3ITGA2B
SCHEMBL20425275 0.77 SYK (0.53) PPARGPPARASYKITGB3ITGA2B
SCHEMBL13611681 0.76 ITGA4 (0.46) PPARGPPARAELANEITGB3ITGA2B
SCHEMBL17592938 0.72 CTSS (0.49) PPARGPPARASYKCTSSCTSK
SCHEMBL662950 0.72 ITGB3 (0.44) PPARGPPARASYKITGB3ITGA2B
SCHEMBL1826658 0.72 PPARG (0.44) PPARGPPARASYKPTPRB

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