SCHEMBL11338367

SCHEMBL11338367

O=C(O)CC(Oc1ccccc1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
PPARA Q07869 3/20 0.57
SLC6A9 P48067 3/20 0.51
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
SLC6A4 P31645 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNK2 O95069 2/20 0.48
KCNH2 Q12809 2/20 0.48
CACNA1C Q13936 2/20 0.48
MAPK14 Q16539 1/20 0.47
FFAR1 O14842 1/20 0.46
EEF2K O00418 1/20 0.46
SLC7A5 Q01650 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
NPC1 O15118 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MTOR P42345 2/20 0.45

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
SCHEMBL1538040 0.85 ALOX15 (0.48) PPARGPPARAFFAR1CYP2C19CYP1A2
SCHEMBL21991863 0.79 PPARG (0.51) PPARGPPARASLC6A9FNTAFNTB
SCHEMBL21991971 0.78 PPARG (0.50) PPARGPPARASLC6A9FNTAFNTB
SCHEMBL21991923 0.76 FNTA (0.51) PPARGPPARASLC6A9FNTAFNTB
SCHEMBL12537686 0.75 MTNR1A (0.44) PPARGPPARAFFAR1NPC1CYP2C19
SCHEMBL21992010 0.75 FNTA (0.50) PPARGPPARASLC6A9FNTAFNTB
SCHEMBL9238802 0.75 PPARG (0.50) PPARGPPARASLC6A9FNTAFNTB
SCHEMBL11302898 0.75 PPARG (0.68) PPARGPPARASLC6A9SLC6A4SLC6A2
SCHEMBL9238806 0.75 PPARG (0.50) PPARGPPARASLC6A9FNTAFNTB
SCHEMBL28444649 0.74 MTNR1A (0.44) PPARGPPARACYP2C19CYP1A2CYP2C9

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
US-4332960-A (4-TRIFLUOROMETHYLPHENOXY) PHENOXY PROPIONATE HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-3966826-A Phenyl ethers HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed