Acetaldehyde

Acetaldehyde

SCHEMBL28007694

CC=O.Cn1c2ccccc2c2ccccc21

nearest known ligand 0.76

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.76
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
FTO Q9C0B1 1/20 0.50
KIF11 P52732 1/20 0.48
IMPDH2 P12268 1/20 0.48
NQO2 P16083 1/20 0.48
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
ATM Q13315 2/20 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
SCHEMBL29321 0.87 GPR3 (1.00) GPR3KDM4EALDH1A1LMNAMAPT
SCHEMBL29461528 0.87 GPR3 (1.00) GPR3KDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL31174327 0.85 GPR3 (0.94) GPR3KDM4EALDH1A1LMNAMAPT
Benzene SCHEMBL28231297 0.85 GPR3 (0.94) GPR3KDM4EALDH1A1LMNAMAPT
SCHEMBL18381839 0.85 GPR3 (0.94) GPR3KDM4EALDH1A1LMNAMAPT
Bicarbonate SCHEMBL9678990 0.81 GPR3 (0.76) GPR3KDM4EALDH1A1LMNAMAPT
SCHEMBL24548166 0.79 GPR3 (0.73) GPR3KDM4EALDH1A1MAPTHPGD
SCHEMBL718797 0.78 PTGER4 (0.64) GPR3KDM4EALDH1A1LMNAMAPT
SCHEMBL29570020 0.78 PTGER4 (0.64) GPR3KDM4EALDH1A1LMNAMAPT
SCHEMBL11180624 0.78 GPR3 (0.57) GPR3KDM4EALDH1A1LMNAMAPT

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-104447506-A Preparation method of 2-acetyl-9-alkyl carbazole QINGHAI INST SALT LAKES CAS 2015-03-25 CN disclosed