Vanillin

Vanillin

SCHEMBL2878427

CC(C)=O.CC(C)C(=O)O.COc1cc(C=O)ccc1O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
HPGD P15428 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
TRIM24 O15164 1/20 0.73
ALDH5A1 P51649 1/20 0.73
ABAT P80404 1/20 0.73
TRIM33 Q9UPN9 1/20 0.73
APP P05067 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA3 P07451 2/20 0.56
PKM P14618 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
SNCA P37840 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 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 SCHEMBL27672925 0.97 ALDH1A1 (0.73) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL891130 0.97 ALDH1A1 (0.78) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL27220604 0.91 ALDH1A1 (0.89) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL20873445 0.90 ALDH1A1 (0.76) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL81718 0.89 ALDH1A1 (0.86) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4955213 0.89 ALDH1A1 (0.86) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL28834487 0.88 ALDH1A1 (0.72) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL11005312 0.88 ALDH1A1 (0.89) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL29175199 0.87 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4779195 0.86 ALDH1A1 (0.86) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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
EP-2166871-A1 TASTE POTENTIATOR COMPOSITIONS IN ORAL DELIVERY SYSTEMS Cadbury Adams USA LLC (US) 2010-03-31 EP claimed
WO-2008141333-A1 TASTE POTENTIATOR COMPOSITIONS IN ORAL DELIVERY SYSTEMS CADBURY ADAMS USA LLC (US) 2008-11-20 WO claimed