SCHEMBL4361944

SCHEMBL4361944

CCCCCCC=CC=CCCCCCCCC(=O)OCCCO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.50
FASN P49327 1/20 0.49
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
P2RY10 O00398 4/20 0.46
GPR34 Q9UPC5 1/20 0.46
FAAH O00519 2/20 0.45
EPHX2 P34913 1/20 0.45
TSHR P16473 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKCA P17252 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
SCHEMBL4531144 1.00 DGKA (0.50) DGKAFASNMGLLALDH1A1MAPT
SCHEMBL22615109 0.95 MGLL (0.53) DGKAMGLLALDH1A1MAPTTHRB
SCHEMBL22615111 0.89 DGKA (0.62) DGKAALDH1A1MAPTP2RY10GPR34
SCHEMBL22615113 0.89 DGKA (0.62) DGKAALDH1A1MAPTP2RY10GPR34
SCHEMBL22615105 0.89 DGKA (0.62) DGKAALDH1A1MAPTP2RY10GPR34
SCHEMBL9951891 0.88 DGKA (0.59) DGKAALDH1A1MAPTP2RY10GPR34
SCHEMBL8982699 0.85 DGKA (0.65) DGKAFASNMGLLALDH1A1MAPT
SCHEMBL8982702 0.85 DGKA (0.65) DGKAFASNMGLLALDH1A1MAPT
SCHEMBL30052458 0.83 DGKA (0.62) DGKAFASNMGLLALDH1A1MAPT
SCHEMBL30981588 0.82 DGKA (0.61) DGKAFASNMGLLALDH1A1MAPT

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
WO-2009127398-A2 CONJUGATED LINOLEIC ACID DERIVATIVES UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND (IE) 2009-10-22 WO claimed
WO-2009127398-A2 CONJUGATED LINOLEIC ACID DERIVATIVES UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND (IE) 2009-10-22 WO disclosed