SCHEMBL809944

SCHEMBL809944

C=Cc1ccc(OC)cc1CCC(C)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ADRA1A P35348 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL809375 0.85 HTR2A (0.38) HTR2ACYP1A1CYP1A2CYP1B1ADRA1A
SCHEMBL810449 0.80 SRC (0.34) HTR2ACYP1A2ADRA1ATAAR1ALDH1A1
SCHEMBL809863 0.80 HTR2A (0.31) HTR2AADRA1AHTR1AADRA2AADRA2B
SCHEMBL809594 0.80 CYP1A1 (0.35) HTR2ACYP1A1CYP1A2CYP1B1ADRA1A
SCHEMBL810465 0.79 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809392 0.78 ALDH1A1 (0.47) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL28118816 0.76 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809792 0.76 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809443 0.74 SLC6A2 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL9065566 0.69 CYP1A2 (0.52) CYP1A1CYP1A2CYP1B1ALDH1A1HSD17B10

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