SCHEMBL6575428

SCHEMBL6575428

COC(Cc1ccc(CC#CCOc2ccc(C(=NO)c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.58
PPARG P37231 18/20 0.58
PPARD Q03181 8/20 0.57
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 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
SCHEMBL6572125 1.00 PPARA (0.58) PPARAPPARGPPARDPOLBMAPT
SCHEMBL5375441 0.92 PPARA (0.59) PPARAPPARGPPARDPOLBMAPT
SCHEMBL14391962 0.92 PPARA (0.59) PPARAPPARGPPARDPOLBMAPT
SCHEMBL5375447 0.92 PPARA (0.59) PPARAPPARGPPARDPOLBMAPT
SCHEMBL6571555 0.89 PPARA (0.71) PPARAPPARGPPARDMAPT
SCHEMBL6574440 0.85 PPARG (0.70) PPARAPPARGPPARD
SCHEMBL6574322 0.85 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL5391225 0.84 PPARG (0.74) PPARAPPARGPPARDPOLBMAPT
SCHEMBL5386342 0.84 PPARG (0.74) PPARAPPARGPPARDPOLBMAPT
SCHEMBL5379884 0.84 PPARA (0.52) 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