SCHEMBL6573887

SCHEMBL6573887

CCOC(=O)[C@H](Cc1ccc(CC#CCOc2ccc(-c3ccccc3)cc2)cc1)OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.56
PPARG P37231 17/20 0.56
PPARD Q03181 9/20 0.56
SRR Q9GZT4 2/20 0.48
PSAT1 Q9Y617 2/20 0.48

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
SCHEMBL6572462 0.92 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6572905 0.90 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6574440 0.89 PPARG (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL5379986 0.84 PPARG (0.73) PPARAPPARGPPARD
SCHEMBL5381781 0.83 PPARA (0.68) PPARAPPARGPPARDSRRPSAT1
SCHEMBL6574322 0.80 PPARA (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL5392011 0.80 PPARG (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL5375703 0.80 PPARG (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL14560737 0.79 PPARA (0.59) PPARAPPARGPPARDSRRPSAT1
SCHEMBL6571555 0.78 PPARA (0.71) PPARAPPARGPPARDSRRPSAT1

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-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed