SCHEMBL809376

SCHEMBL809376

COc1ccc(C=CCCC(C)I)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
TRPA1 O75762 1/20 0.46
RELA Q04206 1/20 0.46
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
AHR P35869 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
BCR P11274 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
SCHEMBL809595 0.84 TAS1R3 (0.47) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL809945 0.83 LMNA (0.47) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL810460 0.81 NFE2L2 (0.39) CYP3A4RELAPTGS2ALOX5NFE2L2
SCHEMBL25400429 0.80 LMNA (0.51) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL809518 0.79 KCNH2 (0.40) LMNACYP1A2PTGS2AHRALOX5
SCHEMBL809983 0.79 HTR2A (0.52) AHRNPC1
SCHEMBL27993003 0.78 GRIK1 (0.56) LMNACYP3A4TRPA1RELATDP1
SCHEMBL31634329 0.77 ALDH1A1 (0.53) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL31634324 0.77 ALDH1A1 (0.53) LMNAKDM4ECYP3A4TP53TSHR
SCHEMBL12479217 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