Ethyl Vanillin

Ethyl Vanillin

SCHEMBL28294682

CCOc1cc(C=O)ccc1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
SLC5A2 P31639 1/20 0.47
TOP2A P11388 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
TRIM24 O15164 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
L3MBTL1 Q9Y468 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
B-D-Galactose SCHEMBL28293001 0.88 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATOP2ACA12
SCHEMBL29489786 0.81 SNCA (0.60) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL124308 0.81 SNCA (0.60) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL2949239 0.81 SNCA (0.60) ALDH1A1MEN1KMT2ACA12CA1
Ethyl Vanillin SCHEMBL27438399 0.81 ALDH1A1 (0.93) ALDH1A1MEN1KMT2ATOP2ATRIM24
Ethyl Vanillin SCHEMBL719058 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATOP2ATRIM24
Ethyl Vanillin SCHEMBL30247 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATOP2ATRIM24
Ethyl Vanillin SCHEMBL29351334 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATOP2ATRIM24
Vanillin SCHEMBL2949236 0.80 SNCA (0.53) ALDH1A1MEN1KMT2ACA12CA1
Vanillin SCHEMBL5902792 0.80 SNCA (0.53) ALDH1A1MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109762794-A A kind of application of glucosyltransferase in production Ethyl vanillin-alpha-D-glucose glycosides 浙江工业大学 2019-05-17 CN claimed
CN-109762794-A A kind of application of glucosyltransferase in production Ethyl vanillin-alpha-D-glucose glycosides 浙江工业大学 2019-05-17 CN disclosed
CN-109762794-A A kind of application of glucosyltransferase in production Ethyl vanillin-alpha-D-glucose glycosides 浙江工业大学 2019-05-17 CN disclosed
CN-109762794-A A kind of application of glucosyltransferase in production Ethyl vanillin-alpha-D-glucose glycosides 浙江工业大学 2019-05-17 CN disclosed