SCHEMBL809924

SCHEMBL809924

Cc1ccc(C=CCCCI)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.42
RELA Q04206 1/20 0.39
CA1 P00915 1/20 0.39
FBP1 P09467 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP2A6 P11509 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1052313 0.82 PDE5A (0.46) NFE2L2RELACA1FBP1ALOX5
SCHEMBL21462942 0.82 PDE5A (0.46) NFE2L2RELACA1FBP1ALOX5
SCHEMBL29101253 0.80 TNNC1 (0.50) NFE2L2RELACA1FBP1ALOX5
SCHEMBL28594086 0.80 NFE2L2 (0.42) NFE2L2RELACA1FBP1ALOX5
SCHEMBL809976 0.80 KCNH2 (0.42) NFE2L2FBP1ALOX5PTGS1PTGS2
SCHEMBL809698 0.80 NFE2L2 (0.42) NFE2L2RELACA1FBP1ALOX5
SCHEMBL809793 0.79 KDM4E (0.50) NFE2L2RELAALOX5PTGS1PTGS2
SCHEMBL2064831 0.79 SIGMAR1 (0.46) RAB9ANPC1
SCHEMBL19452718 0.79 NFE2L2 (0.48) NFE2L2RELACA1FBP1ALOX5
SCHEMBL7062229 0.78 NFE2L2 (0.41) NFE2L2RELACA1FBP1ALOX5

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