SCHEMBL810266

SCHEMBL810266

C=Cc1ccc(Cl)c(CCCl)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL810315 0.84 ALDH1A1 (0.40) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL19222108 0.83 ALDH1A1 (0.36) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL810282 0.83 ALDH1A1 (0.36) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL809920 0.79 TP53 (0.38) ALDH1A1TP53TDP1TRPA1
SCHEMBL14761059 0.79 TRPA1 (0.44) ALDH1A1TRPA1
SCHEMBL15524203 0.79 ALDH1A1 (0.36) ALDH1A1TP53TDP1TRPA1
SCHEMBL16954401 0.78 L3MBTL1 (0.41) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL809776 0.78 ALDH1A1 (0.39) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL25781187 0.78 ALDH1A1 (0.31) ALDH1A1SLC5A1SLC5A2
SCHEMBL15524523 0.76 ALDH1A1 (0.36) ALDH1A1TP53TDP1TRPA1

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