SCHEMBL810086

SCHEMBL810086

C=Cc1ccc(OC)c(CCCl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 5/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
AOC3 Q16853 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.36
CNR2 P34972 1/20 0.36
GABRB2 P47870 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
SCHEMBL15524839 0.87 TRPA1 (0.53) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL809422 0.86 TRPA1 (0.51) TRPA1CYP1A2ALDH1A1PPARGPPARD
SCHEMBL809889 0.83 TRPA1 (0.49) TRPA1ADRA1ATAAR1CYP1A2ALDH1A1
SCHEMBL13348559 0.81 TRPA1 (0.53) TRPA1TAAR1CYP1A2ALDH1A1PPARG
SCHEMBL15524138 0.79 TRPA1 (0.51) TRPA1CYP1A2ALDH1A1PPARGPPARD
SCHEMBL20861841 0.79 TRPA1 (0.51) TRPA1CYP1A2ALDH1A1PPARGPPARD
SCHEMBL810149 0.79 TRPA1 (0.51) TRPA1CYP1A2ALDH1A1PPARGPPARD
SCHEMBL14760933 0.78 TRPA1 (0.50) TRPA1CYP1A2ALDH1A1POLBTSHR
SCHEMBL809920 0.77 TP53 (0.38) TRPA1TAAR1ALDH1A1
SCHEMBL810242 0.76 TRPA1 (0.56) TRPA1CYP1A2ALDH1A1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed