SCHEMBL809945

SCHEMBL809945

COc1ccc(C=CCCC(C)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RELA Q04206 2/20 0.46
TRPA1 O75762 1/20 0.46
AHR P35869 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
ESR1 P03372 2/20 0.44
PTGS2 P35354 2/20 0.44
NFE2L2 Q16236 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABL1 P00519 1/20 0.44
TTR P02766 1/20 0.44
ABCB1 P08183 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL809376 0.83 LMNA (0.47) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL809864 0.81 KCNH2 (0.41) LMNAAHRCYP1A2PTGS2ALOX5
SCHEMBL810450 0.81 NFE2L2 (0.39) CYP3A4RELAPTGS2NFE2L2ALOX5
SCHEMBL25400429 0.80 LMNA (0.51) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL30472942 0.79 KDM4E (0.53) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL809445 0.79 HTR2A (0.52) AHRNPC1
SCHEMBL809595 0.78 TAS1R3 (0.47) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL27993003 0.78 GRIK1 (0.56) LMNACYP3A4RELATRPA1TDP1
SCHEMBL12479217 0.77 KDM4E (0.55) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL13181157 0.77 KDM4E (0.55) LMNAKDM4ECYP3A4TP53TSHR

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