Acetaldehyde

Acetaldehyde

SCHEMBL28304592

CC=O.Cc1cc(C)cc(N2CCCC2=O)c1.N

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PKM P14618 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD9 Q9H8M2 1/20 0.39

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
SCHEMBL4809458 0.91 LMNA (0.58) LMNAPKMTP53MAPK1HSD17B10
SCHEMBL30157520 0.81 LMNA (0.53) LMNAPKMTP53MAPK1HSD17B10
SCHEMBL5605334 0.80 POLB (0.46) LMNAPKMTP53MAPK1HSD17B10
SCHEMBL20794724 0.78 ALDH1A1 (0.61) LMNAPKMTP53MAPK1TSHR
SCHEMBL27854461 0.77 ALDH1A1 (0.50) LMNAPKMTP53MAPK1HSD17B10
SCHEMBL20794721 0.75 ALDH1A1 (0.51) LMNAPKMTP53MAPK1TSHR
SCHEMBL1459903 0.75 ALDH1A1 (0.62) LMNATSHRSMN1; SMN2KMT2AMEN1
SCHEMBL25233717 0.74 LMNA (0.69) LMNAPKMTP53MAPK1HSD17B10
SCHEMBL20153317 0.73 LMNA (0.48) LMNAPKMTP53MAPK1HSD17B10
SCHEMBL171739 0.73 ALDH1A1 (0.62) LMNAPKMTP53TSHRSMN1; SMN2

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-109988092-A The preparation method for treating the drug Nefiracetam of Alzheimer's disease 深圳市第二人民医院 2019-07-09 CN disclosed