SCHEMBL586058

SCHEMBL586058

CC(C)(CCOc1ccccc1)C(=O)O.CC(c1ccccc1)c1ccccc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
PTGDR Q13258 1/20 0.36
FFAR1 O14842 1/20 0.36
CASR P41180 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL30044606 0.80 PPARA (0.64) PPARAPPARG
SCHEMBL396915 0.80 AKR1B1 (0.50)
SCHEMBL82056 0.78 PPARA (0.73) PPARAPPARG
SCHEMBL30017218 0.75 PPARA (0.58) PPARAPPARG
SCHEMBL586059 0.72 PPARA (0.51) PPARAFFAR1PPARG
SCHEMBL10641392 0.71 PPARA (0.88) PPARAPPARG
SCHEMBL586057 0.70 PPARA (0.58) PPARAPPARG
SCHEMBL9416411 0.70 PPARA (0.79) PPARA
SCHEMBL11091440 0.70 PPARA (0.60) PPARAPPARG
SCHEMBL3395166 0.68 AKR1B1 (0.50) FFAR1

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