SCHEMBL810460

SCHEMBL810460

Cc1ccc(C=CCCC(C)I)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
RELA Q04206 1/20 0.37
CA1 P00915 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FBP1 P09467 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP2A6 P11509 1/20 0.34
HTR2A P28223 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL809518 0.84 KCNH2 (0.40) GRIK1GRIK2FBP1ALOX5PTGS1
SCHEMBL809983 0.83 HTR2A (0.52) HTR2AKMT2ANPC1
SCHEMBL809640 0.82 NFE2L2 (0.37) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL810450 0.81 NFE2L2 (0.39) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL809376 0.81 LMNA (0.47) NFE2L2GRIK1GRIK2RELACYP3A4
SCHEMBL30423761 0.75 CYP2C9 (0.39) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL31634322 0.75 CYP2A6 (0.48) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL31634323 0.75 CYP2A6 (0.48) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL6963714 0.74 NFE2L2 (0.46) NFE2L2GRIK1GRIK2RELACA1
SCHEMBL2302497 0.74 NFE2L2 (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