Vanillyl Alcohol

Vanillyl Alcohol

SCHEMBL28864185

CC(C)/C=C/CCCCC(=O)O.COc1cc(CO)ccc1O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.68
▸ CYP1A2 P05177 4/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ CYP2D6 P10635 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ ALOX5 P09917 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ TP53 P04637 2/20 0.68
▸ GAA P10253 2/20 0.68
▸ KDM1A O60341 1/20 0.68
▸ NR1I2 O75469 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ HTR2C P28335 1/20 0.68

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
Azelaic Acid SCHEMBL28665277 0.85 TSHR (0.63) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL23205718 0.83 CYP3A4 (0.69) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL14211614 0.82 HTR1A (0.57) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL1155587 0.82 TRPV1 (0.83) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL3397142 0.82 TRPV1 (0.83) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL3397147 0.82 TRPV1 (0.83) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL1155584 0.82 TRPV1 (0.83) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL1585964 0.82 TRPV1 (0.68) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL29382265 0.82 TRPV1 (0.68) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL1757933 0.81 TRPV1 (0.86) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108472279-A Method for producing capsicum esters by biosynthesis 科纳根公司 2018-08-31 — — CN disclosed
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