Ethyl Vanillin

Ethyl Vanillin

SCHEMBL7523394

CCOc1cc(C=O)ccc1O.O=Cc1ccc2c(c1)OCO2

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
TDP1 Q9NUW8 2/20 0.59
HSD17B10 Q99714 1/20 0.59
APP P05067 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TOP2A P11388 1/20 0.50
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
STK17B O94768 9/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
Ethyl Vanillin SCHEMBL30247 0.85 ALDH1A1 (1.00) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL719058 0.85 ALDH1A1 (1.00) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL29351334 0.85 ALDH1A1 (1.00) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL30402049 0.83 ALDH1A1 (0.97) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL28027365 0.83 ALDH1A1 (0.97) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL28208513 0.83 ALDH1A1 (0.97) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL5277489 0.83 ALDH1A1 (0.97) ALDH1A1TDP1MAPTMEN1KMT2A
Piperonal SCHEMBL20856941 0.82 KMT2A (0.63) ALDH1A1TDP1HSD17B10MAPTMEN1
Ethyl Vanillin SCHEMBL30449764 0.82 ALDH1A1 (0.93) ALDH1A1TDP1MAPTMEN1KMT2A
Ethyl Vanillin SCHEMBL28149909 0.82 ALDH1A1 (0.93) ALDH1A1TDP1MAPTMEN1KMT2A

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
US-6461423-B1 PHYLLOSILICATES AMCOL INTERNATIONAL CORPORATION 2002-10-08 US disclosed
EP-0780340-B1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORP (US) 2002-03-20 EP disclosed
US-6126734-A FORMED BY CONTACTING A LAYERED MATERIAL SUCH AS SODIUM BENTONITE HAVING GIVEN WATER CONTENT, WITH AN INTERCALANT ORGANIC MONOMER COMPRISING C6-24 ALCOHOLS, OR POLYHYDRIC ALCOHOLS; USE AS PLASTICIZERS, THICKENERS AMCOL INTERNATIONAL CORPORATION (US) 2000-10-03 US disclosed
US-6083559-A CONTACTING PHYLLOSILICATES WITH INTERCALANT AND CARRIER AMCOL INTERNATIONAL CORPORATION (US) 2000-07-04 US disclosed
US-5830528-A MULTILAYER; CONTAINING PHYLLOSILICATE AMCOL INTERNATIONAL CORPORATION (US) 1998-11-03 US disclosed
EP-0780340-A1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORPORATION (US) 1997-06-25 EP disclosed