SCHEMBL810292

SCHEMBL810292

C=Cc1ccc(C)c(CI)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
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
SCHEMBL810213 0.85 TP53 (0.38) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL2313482 0.82 TDP1 (0.42) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL809528 0.80 TP53 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL25572772 0.80 TP53 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL26048868 0.80 TDP1 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL24071971 0.78 TP53 (0.39) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL809920 0.77 TP53 (0.38) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL6618349 0.77 TDP1 (0.45) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL809776 0.76 ALDH1A1 (0.39) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL15701974 0.76 PTGS1 (0.39) TAAR1

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