SCHEMBL810134

SCHEMBL810134

C=Cc1ccc(OCCCC)c(CCl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
AHR P35869 1/20 0.37
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL809741 0.92 MAPT (0.47) CNR2ALDH1A1MAPTNPSR1GAA
SCHEMBL810246 0.86 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1POLBTDP1
SCHEMBL9163231 0.85 FDPS (0.50) ALDH1A1MAPTNPSR1GAATHRB
SCHEMBL12165988 0.80 ESR1 (0.48) CNR2ALDH1A1MAPTNPSR1GAA
SCHEMBL14369367 0.79 CNR2 (0.40) CNR2ALDH1A1MAPTNPSR1GAA
SCHEMBL809422 0.79 TRPA1 (0.51) CNR2ALDH1A1MAPTNPSR1POLB
SCHEMBL27440601 0.78 FDPS (0.57) ALDH1A1MAPTSMN1; SMN2PRKCEPRKCQ
SCHEMBL13741960 0.78 TRPA1 (0.47) CNR2ALDH1A1MAPTCNR1CHRNB2
SCHEMBL3761372 0.76 ALDH1A1 (0.43) CNR2ALDH1A1MAPTNPSR1GAA
SCHEMBL809759 0.76 TYR (0.39) ALDH1A1MAPTTHRBCHRNB2CHRNB4

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