SCHEMBL6509614

SCHEMBL6509614

CCCOc1cc2c(cc1CC=O)C(C(C)C)=CC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL6511397 0.94 PPARA (0.47) PPARGPPARA
SCHEMBL6511781 0.91 PPARG (0.40) PPARGPPARA
SCHEMBL6511665 0.86 PPARG (0.39) PPARGPPARA
SCHEMBL6509311 0.80 PPARA (0.35) PPARGPPARA
SCHEMBL6363745 0.79 PPARG (0.37) PPARGPPARA
SCHEMBL6275505 0.79 PPARA (0.50) PPARGPPARA
SCHEMBL6507722 0.78 PPARG (0.39) PPARGPPARA
SCHEMBL6277703 0.77 PPARG (0.43) PPARGPPARA
SCHEMBL6277698 0.77 PPARG (0.43) PPARGPPARA
SCHEMBL6511774 0.74 KDM4E (0.30)

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