SCHEMBL6956830

SCHEMBL6956830

CCSC(Cc1ccc(OCCN2COc3ccc(N)cc3C2=O)cc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.34
PPARA Q07869 10/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TNF P01375 1/20 0.31
PPARD Q03181 2/20 0.31
HRH1 P35367 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ACACB O00763 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6956839 0.83 PPARA (0.34) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL6948411 0.82 PPARG (0.38) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL6952576 0.81 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL6956469 0.76 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL6948887 0.76 PPARG (0.41) PPARGPPARAMAPT
SCHEMBL6953968 0.75 PPARG (0.35) PPARGPPARAMAPTNPSR1PPARD
SCHEMBL6953527 0.74 THRB (0.37) PPARGPPARAALDH1A1MAPTHRH1
SCHEMBL6948555 0.73 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6947127 0.73 ALDH1A1 (0.40) PPARGPPARAALDH1A1MAPTNPSR1
SCHEMBL8797128 0.73 HRH3 (0.50) PPARGPPARAALDH1A1MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed