SCHEMBL809759

SCHEMBL809759

C=Cc1ccc(CCCC)c(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
CTRC Q99895 1/20 0.36
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
EGFR P00533 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 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
SCHEMBL810503 0.95 TYR (0.39) TYRCTRCTP53TDP1MEN1
SCHEMBL809808 0.94 TYR (0.41) TYRTP53TDP1MEN1CYP3A4
SCHEMBL808970 0.94 TYR (0.41) TYRTP53TDP1MEN1CYP3A4
SCHEMBL810179 0.90 ALDH1A1 (0.34) TP53TDP1ALDH1A1CHRNB2CHRNB4
SCHEMBL12802008 0.90 TYR (0.43) TYRCTRCTP53TDP1MEN1
SCHEMBL12802596 0.84 TYR (0.43) TYRTP53TDP1MEN1CYP3A4
Dimethylamine SCHEMBL17128681 0.83 MEN1 (0.39) TYRTP53TDP1MEN1CYP3A4
SCHEMBL12802075 0.83 TYR (0.46) TYRTP53TDP1MEN1CYP3A4
SCHEMBL810422 0.82 TDP1 (0.39) TP53TDP1MAPTALDH1A1CHRNB2
SCHEMBL11073040 0.82 ALDH1A1 (0.43) TP53TDP1MAPTTSHRALDH1A1

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