SCHEMBL809640

SCHEMBL809640

CCC(I)CCC=Cc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
RELA Q04206 1/20 0.35
CA1 P00915 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FBP1 P09467 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CYP2A6 P11509 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL809893 0.85 KCNH2 (0.41) GRIK1GRIK2ALOX5PTGS1PTGS2
SCHEMBL810460 0.82 NFE2L2 (0.39) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL809595 0.82 TAS1R3 (0.47) NFE2L2GRIK1GRIK2RELACYP3A4
SCHEMBL30423761 0.76 CYP2C9 (0.39) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL6963714 0.75 NFE2L2 (0.46) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL2302497 0.75 NFE2L2 (0.46) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL1051328 0.75 NFE2L2 (0.46) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL810450 0.75 NFE2L2 (0.39) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL31634322 0.72 CYP2A6 (0.48) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL21462942 0.72 PDE5A (0.46) NFE2L2GRIK1GRIK2RELACA1

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