SCHEMBL4581487

SCHEMBL4581487

C=CCc1ccc(CC=O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
PPARA Q07869 3/20 0.65
PPARG P37231 1/20 0.65
PPARD Q03181 1/20 0.65
ALOX5 P09917 4/20 0.59
CYP3A4 P08684 4/20 0.59
PTGS1 P23219 2/20 0.59
AR P10275 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GABRA1 P14867 3/20 0.51
GABRB2 P47870 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CNR2 P34972 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL17537954 0.92 ALDH1A1 (0.50) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL17537909 0.90 ALDH1A1 (0.73) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL16131105 0.87 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL4773229 0.83 ALDH1A1 (0.49) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL4977279 0.82 ERN1 (0.43) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL584554 0.82 ALDH1A1 (0.67) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL2980239 0.80 ALDH1A1 (0.59) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL29410312 0.80 ALDH1A1 (0.59) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL16231312 0.80 ALDH1A1 (0.46) ALDH1A1PPARAPPARGPPARDALOX5
SCHEMBL17594048 0.79 ALDH1A1 (0.63) ALDH1A1PPARAPPARGPPARDALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP claimed