SCHEMBL809776

SCHEMBL809776

C=Cc1ccc(Cl)c(CI)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL810282 0.85 ALDH1A1 (0.36) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL810315 0.82 ALDH1A1 (0.40) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL16954401 0.80 L3MBTL1 (0.41) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL810266 0.78 ALDH1A1 (0.37) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL19222108 0.77 ALDH1A1 (0.36) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL12619108 0.77 ALDH1A1 (0.43) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL810292 0.76 TP53 (0.41) ALDH1A1TP53TDP1TRPA1SLC6A2
SCHEMBL25369768 0.76 CYP2A6 (0.35) ALDH1A1SLC5A1SLC5A2
SCHEMBL14890 0.73 ALDH1A1 (0.58) ALDH1A1TP53TDP1TSHR
SCHEMBL30620702 0.73 ALDH1A1 (0.58) ALDH1A1TP53TDP1TSHR

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