SCHEMBL809864

SCHEMBL809864

CC(Cl)CCC=Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
AHR P35869 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 2/20 0.35
FBP1 P09467 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL810450 0.85 NFE2L2 (0.39) GRIK1GRIK2ALOX5PTGS1PTGS2
SCHEMBL809518 0.84 KCNH2 (0.40) KCNH2AHRGRIK1GRIK2GRIK3
SCHEMBL809445 0.83 HTR2A (0.52) AHR
SCHEMBL809945 0.81 LMNA (0.47) AHRGRIK1GRIK2CYP1A2ALOX5
SCHEMBL809893 0.77 KCNH2 (0.41) KCNH2AHRGRIK1GRIK2GRIK3
SCHEMBL13824133 0.76 KCNH2 (0.53) KCNH2AHRGRIK1GRIK2GRIK3
SCHEMBL27629497 0.76 KCNH2 (0.53) KCNH2AHRGRIK1GRIK2GRIK3
SCHEMBL28564771 0.75 GRIK1 (0.49) KCNH2AHRGRIK1GRIK2GRIK3
SCHEMBL9661512 0.74 AHR (0.46) KCNH2AHRGRIK1GRIK2GRIK3
SCHEMBL9661520 0.74 AHR (0.46) KCNH2AHRGRIK1GRIK2GRIK3

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