SCHEMBL6571555

SCHEMBL6571555

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.71
PPARG P37231 15/20 0.71
PPARD Q03181 10/20 0.71
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRR Q9GZT4 2/20 0.45
PSAT1 Q9Y617 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5382121 0.91 PPARA (0.71) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5377922 0.91 PPARA (0.71) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL6575428 0.89 PPARA (0.58) PPARAPPARGPPARDMAPT
SCHEMBL6572125 0.89 PPARA (0.58) PPARAPPARGPPARDMAPT
SCHEMBL6572905 0.89 PPARA (0.57) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL6574440 0.89 PPARG (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL6574322 0.89 PPARA (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL5377460 0.85 PPARG (0.93) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5380859 0.85 PPARG (0.93) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5381122 0.83 PPARG (1.00) PPARAPPARGPPARDALDH1A1HTT

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 4 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 claimed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO claimed
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