Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28640703

CC(=O)c1ccc(C(N)=O)c(C)c1.COC(C)=O

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKCI P41743 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40

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
SCHEMBL3359193 0.91 MKNK1 (0.46) NNMTMAPTPRKCIMKNK1MKNK2
Acetic Acid SCHEMBL28636109 0.87 MKNK1 (0.44) NNMTMAPTPRKCIMKNK1MKNK2
SCHEMBL1756887 0.82 KDM4E (0.61) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL3117994 0.80 KDM4E (0.53) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL30928356 0.80 KDM4E (0.53) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL2128609 0.79 PARP1 (0.52) NNMTALDH1A1KDM4EHSD17B10MKNK1
SCHEMBL13254936 0.78 TDP1 (0.44) NNMTMAPTPRKCIMKNK1MKNK2
SCHEMBL12970676 0.77 KMT2A (0.53) ALDH1A1MAPTMKNK1MKNK2CA1
SCHEMBL28439991 0.77 HDAC8 (0.41) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL2409598 0.77 KDM4E (0.58) ALDH1A1KDM4EGLAGAAMAPT

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-113354551-A Preparation method of amide compound 东莞市东阳光动物保健药品有限公司 2021-09-07 CN disclosed