SCHEMBL5083539

SCHEMBL5083539

O=C(O)C(Oc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.80
PPARA Q07869 2/20 0.60
SLC22A12 Q96S37 1/20 0.52
SLC6A9 P48067 1/20 0.50
ACP3 P15309 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
CES2 O00748 1/20 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
SCHEMBL31053289 1.00 PPARG (0.80) PPARGPPARASLC22A12SLC6A9ACP3
SCHEMBL4576498 0.93 PPARG (0.82) PPARGPPARASLC22A12SLC6A9KDM4E
Metaglidasen SCHEMBL14606136 0.89 PPARG (1.00) PPARGPPARASLC22A12SLC6A9KDM4E
Metaglidasen SCHEMBL29387584 0.89 PPARG (1.00) PPARGPPARASLC22A12SLC6A9KDM4E
Metaglidasen SCHEMBL2443233 0.89 PPARG (1.00) PPARGPPARASLC22A12SLC6A9KDM4E
Mbx-102 Acid Form SCHEMBL12189837 0.89 PPARG (1.00) PPARGPPARASLC22A12SLC6A9KDM4E
SCHEMBL18174876 0.89 PPARG (0.76) PPARGPPARASLC22A12SLC6A9KDM4E
SCHEMBL18174877 0.89 PPARG (0.76) PPARGPPARASLC22A12SLC6A9KDM4E
SCHEMBL18174878 0.89 PPARG (0.76) PPARGPPARASLC22A12SLC6A9KDM4E
SCHEMBL4575950 0.88 PPARG (0.67) PPARGPPARASLC22A12SLC6A9ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937620-A2 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES Metabolex Inc. (US) 2008-07-02 EP claimed
WO-2007038277-A2 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES METABOLEX, INC. (US) 2007-04-05 WO claimed