SCHEMBL4459435

SCHEMBL4459435

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
PPARA Q07869 2/20 0.47
HTR2A P28223 1/20 0.46
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
ALOX5 P09917 4/20 0.43
TSHR P16473 1/20 0.43
PTGS2 P35354 3/20 0.42

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
SCHEMBL9163682 0.83 PPARG (0.43) GAAPPARAFFAR1PPARGALOX5
SCHEMBL4458648 0.80 GAA (0.47) GAAPPARAFFAR1PPARG
SCHEMBL4450871 0.77 GAA (0.54) GAAFFAR1
SCHEMBL3658199 0.76 GAA (0.57) GAAFFAR1TSHR
SCHEMBL3657093 0.76 GAA (0.57) GAAFFAR1TSHR
SCHEMBL1682681 0.76 GAA (0.77) GAAFFAR1TSHR
SCHEMBL4449086 0.75 GAA (0.46) GAAFFAR1
SCHEMBL3659654 0.75 GAA (0.56) GAAFFAR1
SCHEMBL3655663 0.75 GAA (0.56) GAAFFAR1
SCHEMBL8085144 0.75 PPARA (0.58) PPARAPPARGTSHR

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