SCHEMBL810315

SCHEMBL810315

C=Cc1ccc(Cl)c(CCl)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.31
PYGL P06737 2/20 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
SCHEMBL810266 0.84 ALDH1A1 (0.37) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL810172 0.83 ALDH1A1 (0.40) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL11073040 0.83 ALDH1A1 (0.43) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809776 0.82 ALDH1A1 (0.39) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL16954401 0.82 L3MBTL1 (0.41) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL810282 0.79 ALDH1A1 (0.36) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL19222108 0.79 ALDH1A1 (0.36) ALDH1A1SLC5A1SLC5A2TP53TDP1
SCHEMBL809528 0.78 TP53 (0.41) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL19088810 0.78 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809737 0.78 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR

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