Methyl Sorbate

Methyl Sorbate

SCHEMBL14764128

C/C=C/C=C/C(=O)OC.C/C=C/C=C/C(=O)OC

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.60
HCAR2 Q8TDS4 2/20 0.60
KEAP1 Q14145 1/20 0.60
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
Methyl Sorbate SCHEMBL26463541 1.00
Methyl Sorbate SCHEMBL166360 1.00
Methyl Sorbate SCHEMBL166359 1.00
Methyl Sorbate SCHEMBL821207 1.00
Methyl Sorbate SCHEMBL821214 1.00
Methyl Sorbate SCHEMBL7260200 0.97 NFE2L2 (0.57) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
Methyl Sorbate SCHEMBL7260192 0.97 NFE2L2 (0.57) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
SCHEMBL28552613 0.97 NFE2L2 (0.57) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
Methyl Sorbate SCHEMBL7015053 0.93 NFE2L2 (0.52) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
Methyl Sorbate SCHEMBL1408906 0.89 NFE2L2 (0.48) NFE2L2HCAR2KEAP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed