SCHEMBL809893

SCHEMBL809893

CCC(I)CCC=Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
AHR P35869 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DRD2 P14416 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL809640 0.85 NFE2L2 (0.37) KCNH2GRIK1GRIK2ALOX5PTGS1
SCHEMBL809518 0.83 KCNH2 (0.40) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL809595 0.81 TAS1R3 (0.47) GRIK1GRIK2AHRCYP1A2ALOX5
SCHEMBL809864 0.77 KCNH2 (0.41) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL13824133 0.76 KCNH2 (0.53) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL27629497 0.76 KCNH2 (0.53) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL27610241 0.73 KCNH2 (0.58) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL2089767 0.72 CYP1A2 (0.47) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL2089769 0.72 CYP1A2 (0.47) KCNH2GRIK1GRIK2GRIK3AHR
SCHEMBL8170937 0.72 KCNH2 (0.51) KCNH2GRIK1GRIK2GRIK3AHR

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