SCHEMBL29345646

SCHEMBL29345646

CCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
EPHX2 P34913 4/20 0.53
CNR1 P21554 2/20 0.53
FAAH O00519 2/20 0.53
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
DNM1 Q05193 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.48
DUSP3 P51452 1/20 0.47
PTPN7 P35236 1/20 0.47

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
SCHEMBL17033268 1.00 MGLL (0.53) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL17024381 0.99 MGLL (0.52) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL17024384 0.99 MGLL (0.52) MGLLEPHX2CNR1FAAHCNR2
SCHEMBL17033267 0.98 DNM1 (0.52) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL23753581 0.97 MEN1 (0.53) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL17024385 0.97 DNM1 (0.51) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL17024382 0.96 MEN1 (0.52) MGLLEPHX2CNR1FAAHCNR2
SCHEMBL17033269 0.94 ALDH1A1 (0.55) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL17024380 0.93 ALDH1A1 (0.54) MGLLEPHX2CNR1FAAHCNR2
Hydrochloric Acid SCHEMBL17024383 0.93 ALDH1A1 (0.54) MGLLEPHX2CNR1FAAHCNR2

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
EP-3110905-B1 QUATERNARY FATTY ACID ESTERS AS CORROSION INHIBITORS ECOLAB USA INC (US) 2024-07-17 EP disclosed