SCHEMBL4032678

SCHEMBL4032678

CCO[C@@](CC)(Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.66
PPARG P37231 16/20 0.59
PPARD Q03181 7/20 0.59
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4034280 0.92 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL4201152 0.91 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL4029562 0.87 PPARG (0.57) PPARAPPARGPPARDFFAR1
SCHEMBL4032709 0.86 PPARA (0.67) PPARAPPARGPPARDFFAR1
SCHEMBL4032035 0.86 PPARA (0.50) PPARAPPARGPPARDFFAR1
SCHEMBL4030690 0.84 PPARA (0.53) PPARAPPARGPPARDFFAR1
SCHEMBL4025602 0.84 PPARA (0.59) PPARAPPARGPPARDFFAR1
SCHEMBL4028748 0.84 PPARA (0.66) PPARAPPARGPPARDFFAR1
SCHEMBL4027736 0.84 PPARA (0.56) PPARAPPARGPPARDFFAR1
SCHEMBL4032981 0.83 PPARA (0.53) PPARAPPARGPPARDFFAR1

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed