Acetaldehyde

Acetaldehyde

SCHEMBL669161

CC=O.COc1cc(O)ccc1O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.80
TDP1 Q9NUW8 2/20 0.61
TRIM24 O15164 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
ALDH5A1 P51649 1/20 0.61
ABAT P80404 1/20 0.61
TRIM33 Q9UPN9 1/20 0.61
TYR P14679 1/20 0.55
XDH P47989 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
RAB9A P51151 1/20 0.53
TTR P02766 1/20 0.53
CHRNA7 P36544 1/20 0.53
TRPA1 O75762 1/20 0.52
HTT P42858 1/20 0.52
APP P05067 3/20 0.51

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
SCHEMBL29373807 0.89 MAOB (1.00) MAOBTDP1TRIM24ALDH1A1HPGD
SCHEMBL62784 0.89 MAOB (1.00) MAOBTDP1TRIM24ALDH1A1HPGD
Formaldehyde SCHEMBL27695423 0.88 MAOB (0.87) MAOBTDP1TRIM24ALDH1A1HPGD
Water SCHEMBL31548584 0.87 MAOB (0.95) MAOBTDP1TRIM24ALDH1A1HPGD
SCHEMBL8186219 0.87 MAOB (0.95) MAOBTDP1TRIM24ALDH1A1HPGD
Methoxymethane SCHEMBL10894687 0.87 MAOB (0.95) MAOBTDP1TRIM24ALDH1A1HPGD
SCHEMBL8186220 0.87 MAOB (0.95) MAOBTDP1TRIM24ALDH1A1HPGD
Hydroquinone SCHEMBL7192663 0.85 MAOB (0.91) MAOBTDP1TRIM24ALDH1A1HPGD
Acetic Acid SCHEMBL11347763 0.84 MAOB (0.80) MAOBTDP1TRIM24ALDH1A1HPGD
Sulfuric Acid SCHEMBL22717105 0.84 MAOB (0.80) MAOBTDP1TRIM24ALDH1A1HPGD

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-2606176-A1 THERMAL TREATMENT Aston University (GB) 2013-06-26 EP disclosed
WO-2012022949-A1 THERMAL TREATMENT ASTON UNIVERSITY (GB) 2012-02-23 WO disclosed