SCHEMBL28116049

SCHEMBL28116049

CCCC=CCCCCCCCCCCCCCC(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.73
CYP3A4 P08684 2/20 0.73
ALOX15 P16050 2/20 0.73
ALDH1A1 P00352 1/20 0.73
TSHR P16473 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
PGR P06401 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
NR1I2 O75469 1/20 0.62
PTGS2 P35354 1/20 0.62
PDE4D Q08499 1/20 0.62
FAAH O00519 4/20 0.60
DGKA P23743 1/20 0.56
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKCA P17252 1/20 0.54
TERT O14746 3/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL31515053 1.00 HSD17B10 (0.73) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL29065919 0.98 ALDH1A1 (0.70) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL29597391 0.95 ALDH1A1 (0.82) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL28467404 0.95 ALDH1A1 (0.82) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL28304049 0.95 ALDH1A1 (0.82) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL23595590 0.94 ALOX15 (0.80) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL15442493 0.94 ALOX15 (0.80) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL15442495 0.94 ALOX15 (0.80) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL15445279 0.94 ALOX15 (0.80) HSD17B10CYP3A4ALOX15ALDH1A1TSHR
SCHEMBL15457464 0.94 ALOX15 (0.80) HSD17B10CYP3A4ALOX15ALDH1A1TSHR

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
CN-106542998-B A kind of preparation method improving terminal olefin selectivity 万华化学集团股份有限公司 2019-09-03 CN disclosed
CN-106542998-A It is a kind of to improve the selective preparation method of terminal olefin 万华化学集团股份有限公司 2017-03-29 CN disclosed