SCHEMBL809595

SCHEMBL809595

CCC(I)CCC=Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPA1 O75762 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
ESR1 P03372 2/20 0.42
PTGS2 P35354 2/20 0.42
ABL1 P00519 1/20 0.42
TTR P02766 1/20 0.42
ABCB1 P08183 1/20 0.42
ALOX5 P09917 1/20 0.42
BCR P11274 1/20 0.42

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 0.84 LMNA (0.47) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL809640 0.82 NFE2L2 (0.37) CYP3A4RELAPTGS2ALOX5NFE2L2
SCHEMBL809893 0.81 KCNH2 (0.41) CYP1A2PTGS2ALOX5AHRPTGS1
SCHEMBL12479217 0.78 KDM4E (0.55) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL13181157 0.78 KDM4E (0.55) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL809945 0.78 LMNA (0.47) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL27993003 0.75 GRIK1 (0.56) TAS1R3TAS1R1CYP3A4LMNATRPA1
SCHEMBL3247166 0.75 AHR (0.54) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL31634324 0.75 ALDH1A1 (0.53) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL3247170 0.75 AHR (0.54) KDM4ECYP3A4LMNATP53TSHR

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