SCHEMBL586057

SCHEMBL586057

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.58
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
PPARG P37231 1/20 0.40
ESR1 P03372 1/20 0.40

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 0.87 PPARA (0.73) PPARARAB9AALDH1A1RECQLPPARG
SCHEMBL30044606 0.80 PPARA (0.64) PPARARAB9APPARG
SCHEMBL10641392 0.79 PPARA (0.88) PPARACHRM1PPARG
SCHEMBL396913 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3RAB9AALDH1A1
SCHEMBL11091440 0.77 PPARA (0.60) PPARACHRM1KDM4EKMT2APPARG
SCHEMBL9416411 0.77 PPARA (0.79) PPARA
SCHEMBL10959273 0.76 SMN1; SMN2 (0.60) PPARAKDM4EPOLBNPC1CASP3
SCHEMBL30017218 0.75 PPARA (0.58) PPARAKDM4ENPC1RAB9AALDH1A1
SCHEMBL21991329 0.74 PPARA (0.71) PPARA
SCHEMBL21991977 0.74 PPARA (0.73) PPARAALDH1A1PPARG

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