SCHEMBL4459430

SCHEMBL4459430

CCCCCCc1cc(CC(CC)C(=O)O)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.69
PPARD Q03181 13/20 0.69
PPARG P37231 11/20 0.57

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
SCHEMBL4041201 0.82 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL4454899 0.80 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL4450745 0.80 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4458644 0.80 PPARA (0.67) PPARAPPARDPPARG
SCHEMBL14122353 0.78 PPARG (0.57) PPARAPPARG
SCHEMBL15839483 0.78 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL28622516 0.78 ALOX15 (0.60) PPARAPPARDPPARG
SCHEMBL8085058 0.77 ALOX5 (0.51) PPARAPPARG
SCHEMBL10835922 0.77 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL9070266 0.77 PPARG (0.55) 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
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed