SCHEMBL17411409

SCHEMBL17411409

CCCCC/C=C\C/C=C\CCCCCCCCCCCCNCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.64
ALDH1A1 P00352 6/20 0.63
MAPT P10636 1/20 0.63
THRB P10828 1/20 0.63
CNR1 P21554 1/20 0.63
EPHX2 P34913 3/20 0.58
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FAAH O00519 1/20 0.56
F7 P08709 3/20 0.54
F3 P13726 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
DUSP3 P51452 1/20 0.54
PTPN7 P35236 1/20 0.54

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
SCHEMBL17411413 1.00 MGLL (0.64) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL17411442 0.96 MGLL (0.66) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL14935012 0.96 MGLL (0.66) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL30763741 0.95 MGLL (0.66) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL12179602 0.92 MGLL (0.68) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL14759657 0.92 MGLL (0.68) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL14240050 0.92 EPHX2 (0.60) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25242345 0.92 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25297580 0.92 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25290011 0.92 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004202-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 WO disclosed