SCHEMBL28649243

SCHEMBL28649243

O=Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.70
NR1H4 Q96RI1 3/20 0.70
PPARG P37231 2/20 0.61
PPARA Q07869 2/20 0.61
HTR2C P28335 1/20 0.58
NAMPT P43490 2/20 0.55
MAPK14 Q16539 2/20 0.55
SCN3A Q9NY46 1/20 0.53
AKR1C3 P42330 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL2106961 0.85 HTR2C (0.69) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL20477570 0.85 EPHX2 (0.76) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL20477542 0.84 EPHX2 (0.74) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL95452 0.84 EPHX2 (0.74) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL14195834 0.83 EPHX2 (0.74) EPHX2NR1H4PPARGPPARANAMPT
SCHEMBL3577590 0.83 EPHX2 (0.73) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL27920874 0.83 MAPK14 (0.74) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL23884738 0.82 NPC1 (0.68) EPHX2NR1H4PPARGHPGDALDH1A1
SCHEMBL17339262 0.82 EPHX2 (0.70) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL27931800 0.81 EPHX2 (0.70) EPHX2NR1H4PPARGPPARAHTR2C

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