SCHEMBL586059

SCHEMBL586059

CC(C)(CCOc1ccccc1)C(=O)O.O=C(O)C(CCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.51
PPARG P37231 4/20 0.44
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
FFAR1 O14842 1/20 0.39

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
SCHEMBL82056 0.80 PPARA (0.73) PPARAPPARG
SCHEMBL30044606 0.79 PPARA (0.64) PPARAPPARG
SCHEMBL396914 0.77 ACP3 (0.53) PPARAPPARG
SCHEMBL5264742 0.77 ACP3 (0.53) PPARAPPARG
SCHEMBL27360178 0.76 PPARA (0.48) PPARA
SCHEMBL29453509 0.75 ACP3 (0.46) PPARAPPARGHTT
SCHEMBL30017218 0.75 PPARA (0.58) PPARAPPARG
SCHEMBL10641392 0.73 PPARA (0.88) PPARAPPARG
SCHEMBL9145931 0.72 ALDH1A1 (0.56) PPARAPPARGGAAALOX5
SCHEMBL30811394 0.72 ALDH1A1 (0.56) PPARAPPARGGAA

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
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed