SCHEMBL6511397

SCHEMBL6511397

CCCCOc1cc2c(cc1CC=O)C(C(C)C)=CC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
CNR2 P34972 1/20 0.31

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
SCHEMBL6509614 0.94 PPARG (0.43) PPARAPPARG
SCHEMBL6511781 0.90 PPARG (0.40) PPARAPPARG
SCHEMBL6511665 0.85 PPARG (0.39) PPARAPPARG
SCHEMBL6278763 0.80 PPARA (0.52) PPARAPPARGCNR2
SCHEMBL6280585 0.79 PPARG (0.45) PPARAPPARG
SCHEMBL6280589 0.79 PPARG (0.45) PPARAPPARG
SCHEMBL6363745 0.78 PPARG (0.37) PPARAPPARG
SCHEMBL6507722 0.77 PPARG (0.39) PPARAPPARG
SCHEMBL6275505 0.76 PPARA (0.50) PPARAPPARG
SCHEMBL6277698 0.74 PPARG (0.43) PPARAPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed