Vanillin

Vanillin

SCHEMBL7616640

COc1cc(C=O)ccc1O.Cc1ccc(C(C)C)c(O)c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
TRIM24 O15164 1/20 0.66
HPGD P15428 1/20 0.66
ALDH5A1 P51649 1/20 0.66
ABAT P80404 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TRIM33 Q9UPN9 1/20 0.66
TRPA1 O75762 2/20 0.55
LMNA P02545 1/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR2B P41595 1/20 0.55
AOX1 Q06278 1/20 0.50
XDH P47989 1/20 0.49
CXCL12 P48061 2/20 0.48
TSHR P16473 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX5 P09917 1/20 0.46

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
Thymol SCHEMBL8767839 0.86 TRPA1 (0.70) TRPA1LMNACHRM1SLC6A2ADRA1A
Vanillin SCHEMBL2880040 0.81 ALDH1A1 (0.93) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL720723 0.81 ALDH1A1 (1.00) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL1213 0.81 ALDH1A1 (1.00) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL29354839 0.81 ALDH1A1 (1.00) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL19411839 0.80 ALDH1A1 (0.96) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL8853913 0.80 ALDH1A1 (0.96) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL19260053 0.80 ALDH1A1 (0.96) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL4442606 0.80 ALDH1A1 (0.96) ALDH1A1TRIM24HPGDALDH5A1ABAT
Vanillin SCHEMBL20549709 0.80 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235545-A1 TARTAR CONTROL DENTURE ADHESIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-09-04 EP disclosed
WO-2001041711-A1 TARTAR CONTROL DENTURE ADHESIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 WO disclosed
EP-1011609-A4 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 2000-08-16 EP disclosed
EP-1011609-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 2000-06-28 EP disclosed
WO-1998048768-A9 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 1999-03-25 WO disclosed
WO-1998050005-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-12 WO disclosed