SCHEMBL809889

SCHEMBL809889

C=Cc1ccc(OC)c(CCI)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
ALDH1A1 P00352 6/20 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
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 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
SCHEMBL810149 0.86 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL810086 0.83 TRPA1 (0.49) TRPA1ADRA1ATAAR1ALDH1A1PPARG
SCHEMBL13348559 0.81 TRPA1 (0.53) TRPA1TAAR1ALDH1A1PPARGPPARD
SCHEMBL20861841 0.79 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL15524138 0.79 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL809422 0.79 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL810213 0.77 TP53 (0.38) TRPA1TAAR1ALDH1A1
SCHEMBL8491999 0.75 ADRA1A (0.68) ADRA1ATAAR1AOC3
SCHEMBL29778007 0.74 TRPA1 (0.68) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL33786 0.74 TRPA1 (0.68) TRPA1ALDH1A1PPARGPPARDPPARA

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