SCHEMBL6695640

SCHEMBL6695640

CC(=O)C(Cc1ccccc1C(F)(F)F)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 1/20 0.51
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
POLQ O75417 1/20 0.48
EPHX2 P34913 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
IDO1 P14902 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9492298 0.86 PPARG (0.57) PPARGPPARAPOLQEPHX2KDM4E
SCHEMBL27761205 0.83 MAOB (0.49) PPARGPPARAMAOBMAOAPOLQ
SCHEMBL16509236 0.81 MAOA (0.45) PPARGPPARAMAOBMAOAPOLQ
SCHEMBL9054494 0.81 EPHX2 (0.54) PPARGPPARAMAOBMAOAPOLQ
SCHEMBL7376151 0.79 MAOB (0.43) PPARGPPARAMAOBMAOAPOLQ
SCHEMBL14208224 0.78 PPARG (0.62) PPARGPPARAMAOBMAOAPOLQ
SCHEMBL10885169 0.78 PPARG (0.50) PPARGPPARAPOLQEPHX2KDM4E
SCHEMBL7375299 0.77 EPHX2 (0.59) PPARGPPARAPOLQEPHX2CTNNB1
SCHEMBL2426168 0.77 IDO1 (0.47) PPARGPPARAMAOBMAOAPOLQ
SCHEMBL265536 0.77 POLQ (0.59) MAOBMAOAPOLQEPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO disclosed