SCHEMBL3900441

SCHEMBL3900441

CCOC(=O)Oc1ccc(CCC(O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ACACB O00763 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CA2 P00918 3/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5706137 0.83 PPARG (0.51) CTSKCTSSPPARGPPARAGLA
SCHEMBL3900448 0.79 ATM (0.47) CTSKCTSSPPARGPPARAACACB
SCHEMBL27730329 0.79 CTSK (0.62) CTSKCTSSPPARGPPARA
SCHEMBL22042132 0.79 CTSK (0.62) CTSKCTSSPPARGPPARA
SCHEMBL28108976 0.79 CTSK (0.62) CTSKCTSSPPARGPPARA
SCHEMBL3900446 0.77 PPARG (0.46) CTSKCTSSPPARGPPARAGLA
SCHEMBL9295212 0.75 CTSK (0.55) CTSKCTSSPPARGPPARA
SCHEMBL18626097 0.73 CTSK (0.61) CTSKCTSSPPARGPPARASMN1; SMN2
SCHEMBL13037410 0.73 CTSK (0.61) CTSKCTSSPPARGPPARASMN1; SMN2
SCHEMBL17473110 0.72 THRB (0.60) ACACBGLAKMT2AALDH1A1MAPT

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