Vanillin

Vanillin

SCHEMBL6207701

COc1cc(C=O)ccc1O.COc1ccccc1O

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.83
TRIM24 O15164 1/20 0.83
HPGD P15428 1/20 0.83
ALDH5A1 P51649 1/20 0.83
ABAT P80404 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
TRIM33 Q9UPN9 1/20 0.83
AOX1 Q06278 1/20 0.67
TSHR P16473 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
TP53 P04637 1/20 0.60
XDH P47989 1/20 0.59
TRPA1 O75762 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
MAPT P10636 3/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TYR P14679 1/20 0.56

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
Vanillin SCHEMBL26927685 0.95 ALDH1A1 (0.76) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL29000270 0.95 ALDH1A1 (0.86) ALDH1A1TRIM24HPGDALDH5A1ABAT
Protocatechualdehyde SCHEMBL28302764 0.92 ALDH1A1 (0.70) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL27845333 0.91 ALDH1A1 (0.93) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL1213 0.91 ALDH1A1 (1.00) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL720723 0.91 ALDH1A1 (1.00) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL29354839 0.91 ALDH1A1 (1.00) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL8320727 0.90 ALDH1A1 (0.83) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL11269339 0.90 ALDH1A1 (0.96) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL8853913 0.90 ALDH1A1 (0.96) ALDH1A1TRIM24HPGDALDH5A1ABAT

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
WO-2023238600-A1 EGG FLAVORING AGENT, METHOD FOR IMPARTING EGG FLAVOR TO FOODS AND DRINKS, METHOD FOR PRODUCING FOODS AND DRINKS HAVING EGG FLAVOR, AND FOODS AND DRINKS 株式会社J-オイルミルズ 2023-12-14 WO disclosed
EP-1506167-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2005-02-16 EP disclosed
WO-2003095420-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-20 WO disclosed