Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL15375727

CCOC(=O)CC(=O)OCC.COCC(C)O

nearest known ligand 0.60

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
MGAM O43451 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34

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
Acetic Acid SCHEMBL5480802 0.88 MGAM (0.45) GAAMGAMSIMGAM2MAPT
SCHEMBL5673032 0.82 MAPT (0.45) GAAMGAMSIMGAM2MAPT
SCHEMBL3856722 0.82 HSD17B10 (0.40) GAAMGAMSIMGAM2MAPT
Ethyl Acetate SCHEMBL1744775 0.82 ALDH1A1 (0.58) GAAMGAMSIMGAM2MAPT
Ethyl Acetate SCHEMBL5905816 0.78 ALDH1A1 (0.54) GAAMGAMSIMGAM2MAPT
Malonic Acid Diethyl Ester SCHEMBL28237104 0.78 GAA (0.79) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL822244 0.78 MAPT (0.55) GAAMGAMSIMGAM2MAPT
SCHEMBL28692233 0.78 HSD17B10 (0.42) MAPTALDH1A1HSD17B10LMNAKMT2A
Malonic Acid Diethyl Ester SCHEMBL7535224 0.78 GAA (0.62) GAAMGAMSIMGAM2MAPT
Malonic Acid Diethyl Ester SCHEMBL1864301 0.78 GAA (1.00) GAAMGAMSIMGAM2MAPT

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
US-20130298792-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2013-11-14 US disclosed