Vanillin

Vanillin

SCHEMBL14975994

CCOCC.COc1cc(C=O)ccc1O.Oc1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.68
▸ HPGD P15428 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ TRIM24 O15164 1/20 0.68
▸ ALDH5A1 P51649 1/20 0.68
▸ ABAT P80404 1/20 0.68
▸ TRIM33 Q9UPN9 1/20 0.68
▸ MAPT P10636 5/20 0.52
▸ APP P05067 2/20 0.52
▸ AOX1 Q06278 1/20 0.51
▸ CA12 O43570 3/20 0.51
▸ CA4 P22748 3/20 0.51
▸ CA6 P23280 3/20 0.51
▸ CA5A P35218 3/20 0.51
▸ CA7 P43166 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ CA14 Q9ULX7 3/20 0.51
▸ CA5B Q9Y2D0 3/20 0.51
▸ MAOB P27338 3/20 0.50
▸ ABCB1 P08183 2/20 0.50

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 SCHEMBL19838304 0.92 ALDH1A1 (0.81) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL356799 0.92 ALDH1A1 (0.81) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL28601372 0.92 ALDH1A1 (0.81) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4411107 0.89 ALDH1A1 (0.76) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL27845333 0.85 ALDH1A1 (0.93) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4259101 0.85 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL22572816 0.85 ALDH1A1 (0.82) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL8320727 0.84 ALDH1A1 (0.83) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL27673973 0.84 ALDH1A1 (0.89) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL29175199 0.84 ALDH1A1 (0.96) 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-2782586-A1 IMPROVED SYNERGISTIC ANTI-DIABETIC COMPOSITIONS Ozstar Therapeutics Pty Ltd (AU) 2014-10-01 — — EP disclosed
WO-2013075172-A1 IMPROVED SYNERGISTIC ANTI-DIABETIC COMPOSITIONS OZSTAR THERAPEUTICS PTY LTD (AU) 2013-05-30 — — WO disclosed
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