SCHEMBL810149

SCHEMBL810149

C=Cc1ccc(OC)c(CI)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.51
ALDH1A1 P00352 8/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX5 P09917 1/20 0.38
GABRA1 P14867 1/20 0.38
CNR2 P34972 1/20 0.38
GABRB2 P47870 1/20 0.38
FDPS P14324 2/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL809889 0.86 TRPA1 (0.49) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL13348559 0.84 TRPA1 (0.53) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL15524138 0.82 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL20861841 0.82 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL809422 0.82 TRPA1 (0.51) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL24589259 0.79 TRPA1 (0.56) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL810086 0.79 TRPA1 (0.49) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL33786 0.77 TRPA1 (0.68) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL29778007 0.77 TRPA1 (0.68) TRPA1ALDH1A1PPARGPPARDPPARA
SCHEMBL14390344 0.76 MAPT (0.55) ALDH1A1TSHRGAA

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