SCHEMBL21361694

SCHEMBL21361694

C=C(CC)COCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.33

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
SCHEMBL31417778 0.84 CDK1 (0.30)
Bicarbonate SCHEMBL28023880 0.82 TDP1 (0.32) TDP1ALDH1A1HSD17B10THRB
SCHEMBL15898194 0.80 HSD17B10 (0.30) TDP1HSD17B10
SCHEMBL137776 0.79
Water SCHEMBL10891347 0.76 CES2 (0.50) CES2TDP1ALDH1A1HSD17B10
SCHEMBL29866183 0.76 CES2 (0.50) CES2TDP1ALDH1A1HSD17B10
Methyl Alcohol SCHEMBL4478987 0.76 CES2 (0.50) CES2TDP1ALDH1A1HSD17B10
Water SCHEMBL7571126 0.76 CES2 (0.50) CES2TDP1ALDH1A1HSD17B10
SCHEMBL14234014 0.75 CES2 (0.46) CES2TDP1ALDH1A1HSD17B10
SCHEMBL8595992 0.74

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
WO-2019177401-A1 COMPOUND, COLORED RESIN COMPOSITION, COLOR FILTER, AND DISPLAY DEVICE 동우 화인켐 주식회사 2019-09-19 WO disclosed