SCHEMBL28646196

SCHEMBL28646196

O=Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.60
EPHX2 P34913 7/20 0.58
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 1/20 0.52
HDAC1 Q13547 2/20 0.51
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX5 P09917 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B13 Q7Z5P4 3/20 0.46

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
SCHEMBL13947519 0.85 EPHX2 (0.66) PPARGEPHX2ROCK2ROCK1HDAC1
SCHEMBL28648368 0.81 EPHX2 (0.68) PPARGEPHX2ALOX5
SCHEMBL22987233 0.80 EPHX2 (0.69) PPARGEPHX2ROCK2ROCK1HDAC1
SCHEMBL15338437 0.79 HDAC3 (0.50) PPARGEPHX2ROCK2ROCK1HDAC1
SCHEMBL13876187 0.78 EPHX2 (0.58) PPARGEPHX2ROCK2ROCK1HDAC1
SCHEMBL16761098 0.77 EPHX2 (0.60) EPHX2
SCHEMBL3710899 0.77 EPHX2 (0.69) PPARGEPHX2ROCK2ROCK1HDAC1
SCHEMBL28649243 0.77 EPHX2 (0.70) PPARGEPHX2ROCK2ROCK1NR1H4
SCHEMBL28348748 0.77 EPHX2 (0.61) PPARGEPHX2ROCK2ROCK1HDAC1
SCHEMBL29258115 0.76 NAMPT (0.52) PPARGEPHX2ROCK2ROCK1HDAC1

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
CN-108026028-B Treatment of diabetes and metabolic syndrome with novel dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors 威斯康星州医药大学股份有限公司 2021-11-09 CN disclosed