SCHEMBL4615313

SCHEMBL4615313

Cc1[c]c(Oc2cccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2C)ccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
NR1H4 Q96RI1 1/20 0.48
HTR2C P28335 1/20 0.47
PDE2A O00408 1/20 0.46
PPARA Q07869 5/20 0.45
PPARD Q03181 3/20 0.45
PPARG P37231 3/20 0.44
EGLN1 Q9GZT9 1/20 0.43
MAPK14 Q16539 1/20 0.43
HPGD P15428 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL4616199 0.88 MAPK14 (0.47) EPHX2PPARAPPARDPPARGMAPK14
SCHEMBL5412175 0.76 PPARA (0.61) HTR2CPPARAPPARDPPARG
SCHEMBL3575043 0.72 EPHX2 (0.57) EPHX2NR1H4HTR2CPDE2APPARA
SCHEMBL22972197 0.71 KDR (0.46) PPARAPPARDPPARGMAPK14
SCHEMBL3966634 0.70 EPHX2 (0.63) EPHX2NR1H4HTR2CPDE2APPARA
SCHEMBL6635990 0.69 EPHX2 (0.61) EPHX2NR1H4HTR2CPDE2APPARA
SCHEMBL3577590 0.69 EPHX2 (0.73) EPHX2NR1H4HTR2CPPARAPPARG
SCHEMBL15953377 0.68 LIPG (0.75) EPHX2NR1H4HTR2CPDE2APPARA
SCHEMBL934006 0.68 EPHX2 (0.60) EPHX2NR1H4HTR2CPDE2APPARA
SCHEMBL921976 0.68 MAPK8 (0.52) EPHX2NR1H4HTR2CPDE2AEGLN1

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
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed