SCHEMBL6572905

SCHEMBL6572905

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.57
PPARG P37231 13/20 0.57
PPARD Q03181 13/20 0.57
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
ACACB O00763 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6573887 0.90 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6572462 0.90 PPARA (0.56) PPARAPPARGPPARDACACB
SCHEMBL6571555 0.89 PPARA (0.71) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5390421 0.85 PPARA (0.74) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5380839 0.84 PPARA (0.66) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL14391963 0.83 PPARG (0.68) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5377922 0.81 PPARA (0.71) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5382121 0.81 PPARA (0.71) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL14366338 0.81 PPARG (0.51) PPARAPPARGPPARDALDH1A1HTT
SCHEMBL5381926 0.80 PPARA (0.67) 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 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