SCHEMBL9492298

SCHEMBL9492298

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.57
PPARA Q07869 1/20 0.57
POLQ O75417 1/20 0.54
KMT2A Q03164 1/20 0.53
EPHX2 P34913 6/20 0.49
IDO1 P14902 2/20 0.46
GAA P10253 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL7375299 0.87 EPHX2 (0.59) PPARGPPARAPOLQEPHX2
SCHEMBL10885169 0.87 PPARG (0.50) PPARGPPARAPOLQKMT2AEPHX2
SCHEMBL16815322 0.86 PPARG (0.55) PPARGPPARAPOLQEPHX2IDO1
SCHEMBL6695640 0.86 PPARG (0.51) PPARGPPARAPOLQKMT2AEPHX2
SCHEMBL27761205 0.86 MAOB (0.49) PPARGPPARAPOLQKMT2AEPHX2
SCHEMBL42975 0.84 PPARG (0.53) PPARGPPARAPOLQKMT2AEPHX2
SCHEMBL503201 0.84 PPARG (0.53) PPARGPPARAPOLQKMT2AEPHX2
SCHEMBL14208224 0.84 PPARG (0.62) PPARGPPARAPOLQEPHX2GAA
SCHEMBL42976 0.84 PPARG (0.53) PPARGPPARAPOLQKMT2AEPHX2
SCHEMBL29410813 0.84 PPARG (0.53) PPARGPPARAPOLQKMT2AEPHX2

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
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed