SCHEMBL6574322

SCHEMBL6574322

CO[C@@H](Cc1ccc(CC#CCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.70
PPARG P37231 16/20 0.70
PPARD Q03181 8/20 0.70
SRR Q9GZT4 2/20 0.47
ACACB O00763 1/20 0.46
PSAT1 Q9Y617 1/20 0.46

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
SCHEMBL5375792 0.91 PPARA (0.80) PPARAPPARGPPARDACACB
SCHEMBL5375797 0.91 PPARA (0.80) PPARAPPARGPPARDACACB
SCHEMBL6574440 0.91 PPARG (0.70) PPARAPPARGPPARDSRRPSAT1
SCHEMBL6572462 0.89 PPARA (0.56) PPARAPPARGPPARDACACB
SCHEMBL6571555 0.89 PPARA (0.71) PPARAPPARGPPARDSRRPSAT1
SCHEMBL6575247 0.88 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL6572125 0.85 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL6575428 0.85 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL5382474 0.84 PPARG (0.92) PPARAPPARGPPARD
SCHEMBL5382488 0.84 PPARG (0.92) PPARAPPARGPPARD

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