SCHEMBL11993063

SCHEMBL11993063

Cc1ccccc1SCC[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SLC6A9 P48067 6/20 0.40
PTPN1 P18031 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MTOR P42345 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
Pemaglitazar SCHEMBL3971148 0.89 PPARG (0.56) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL3971735 0.89 PPARG (0.56) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL29908544 0.89 PPARG (0.56) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL3971139 0.89 PPARG (0.56) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL6902223 0.87 PPARA (0.52) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL6902218 0.87 PPARA (0.52) PPARGPPARANPC1RAB9ASLC6A9
SCHEMBL3970938 0.87 NPC1 (0.47) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL6904072 0.87 PPARG (0.54) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL6904388 0.85 PPARG (0.52) PPARGPPARANPC1RAB9ASLC6A9
Pemaglitazar SCHEMBL6904078 0.85 PPARG (0.52) PPARGPPARANPC1RAB9ASLC6A9

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-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed