SCHEMBL9130794

SCHEMBL9130794

CCCCCCCCC=CCCCCCCCCC1=NCCN1CCOC(=O)CCCCCCCC=CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.46
MGLL Q99685 1/20 0.44
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44
PRKCA P17252 2/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL5032155 1.00 DGKA (0.46) DGKAMGLLEPHX2ALDH1A1MAPT
SCHEMBL9131487 0.95 DGKA (0.45) DGKAMGLLEPHX2ALDH1A1MAPT
SCHEMBL5032814 0.94 ALDH1A1 (0.46) DGKAMGLLEPHX2ALDH1A1MAPT
SCHEMBL9130118 0.93 DGKA (0.53) DGKAALDH1A1MAPT
SCHEMBL9190465 0.93 DGKA (0.53) DGKAALDH1A1MAPT
SCHEMBL9193619 0.93 DGKA (0.53) DGKAALDH1A1MAPT
SCHEMBL9550459 0.93 DGKA (0.53) DGKAALDH1A1MAPT
SCHEMBL9695229 0.93 DGKA (0.53) DGKAALDH1A1MAPT
SCHEMBL9131696 0.93 DGKA (0.53) DGKAALDH1A1MAPT
SCHEMBL9693686 0.93 DGKA (0.53) DGKAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684223-A1 Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP disclosed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 US disclosed