SCHEMBL810179

SCHEMBL810179

C=Cc1ccc(CCC)c(CCl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TRPA1 O75762 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL809759 0.90 TYR (0.39) ALDH1A1TP53TDP1CHRNB2CHRNB4
SCHEMBL12802190 0.89 ALDH1A1 (0.40) ALDH1A1TP53TDP1CHRNB2CHRNB4
SCHEMBL810503 0.88 TYR (0.39) ALDH1A1TP53TDP1
SCHEMBL808970 0.87 TYR (0.41) ALDH1A1TP53TDP1
SCHEMBL809808 0.87 TYR (0.41) ALDH1A1TP53TDP1
SCHEMBL810422 0.85 TDP1 (0.39) ALDH1A1TP53TDP1CHRNB2CHRNB4
SCHEMBL26941360 0.85 ALDH1A1 (0.37) ALDH1A1TP53TDP1CHRNB2CHRNB4
SCHEMBL11073040 0.85 ALDH1A1 (0.43) ALDH1A1TP53TDP1CHRNB2CHRNB4
SCHEMBL9652250 0.81 ALDH1A1 (0.37) ALDH1A1TP53TDP1CHRNB2CHRNB4
SCHEMBL19416753 0.81 TDP1 (0.39) ALDH1A1TP53TDP1CHRNB2CHRNB4

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