SCHEMBL809723

SCHEMBL809723

ClCCCC=Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
AHR P35869 1/20 0.43
CYP1A2 P05177 1/20 0.41
FBP1 P09467 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 2/20 0.38
PTGS2 P35354 2/20 0.37
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL9661520 0.87 AHR (0.46) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL9661512 0.87 AHR (0.46) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL14303839 0.82 KCNH2 (0.42) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL11353943 0.82 KCNH2 (0.42) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL4774169 0.82 KCNH2 (0.46) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL809976 0.82 KCNH2 (0.42) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL2092628 0.82 KCNH2 (0.42) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL2093324 0.82 CYP1A2 (0.44) KCNH2AHRCYP1A2FBP1GRIK1
SCHEMBL809698 0.82 NFE2L2 (0.42) KCNH2FBP1GRIK1GRIK2PTGS2
SCHEMBL2093320 0.82 CYP1A2 (0.44) KCNH2AHRCYP1A2FBP1GRIK1

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