SCHEMBL20969313

SCHEMBL20969313

CC(C)CCOC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DGKA P23743 2/20 0.50
MGLL Q99685 1/20 0.49
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKCA P17252 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CNR1 P21554 1/20 0.48
EPHX2 P34913 1/20 0.45
LPAR1 Q92633 2/20 0.45

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
SCHEMBL20969314 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL28417035 0.97 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10654527 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ
SCHEMBL333579 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ
SCHEMBL10654521 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ
SCHEMBL7032045 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ
SCHEMBL19519104 0.94 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL2399733 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ
SCHEMBL2399727 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ
SCHEMBL333578 0.94 DGKA (0.59) ALDH1A1DGKAMGLLPRKCEPRKCQ

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-3483233-A1 LUBRICANT BASE OIL COMPOSITIONS OF MONO-UNSATURATED DIBASIC ACID ESTERS WITH BRANCHED ALCOHOLS ARKEMA FRANCE (FR) 2019-05-15 EP disclosed