SCHEMBL810422

SCHEMBL810422

C=Cc1ccc(CC)c(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TRPA1 O75762 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL9652250 0.92 ALDH1A1 (0.37) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL1362573 0.88 TDP1 (0.45) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL30767842 0.88 TDP1 (0.45) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL11073040 0.88 ALDH1A1 (0.43) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL810179 0.85 ALDH1A1 (0.34) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL809759 0.82 TYR (0.39) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL810503 0.81 TYR (0.39) TDP1TP53ALDH1A1MAPT
SCHEMBL19416753 0.81 TDP1 (0.39) TDP1TP53ALDH1A1TRPA1CHRNB2
SCHEMBL808970 0.80 TYR (0.41) TDP1TP53ALDH1A1MAPT
SCHEMBL809808 0.80 TYR (0.41) TDP1TP53ALDH1A1MAPT

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 6 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
US-5138001-A Optical disc substrates; low birefringence, heat and moisture absorption resistance, high transparency TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0415729-A2 Vinylphenyl compound, process for the production thereof, polymerizable composition containing same, and crosslinked polymer formed therefrom TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed