Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL7380709

CCOC(=O)C(Cc1cnc(NC(=O)OC(C)(C)C)c(Cl)c1)C(=O)OCC.CCOC(=O)CC(=O)OCC

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
CPB2 Q96IY4 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MKNK2 Q9HBH9 1/20 0.37
PPARG P37231 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 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
SCHEMBL6059446 0.96 CPB2 (0.41) L3MBTL1CPB2MEN1KMT2AMKNK2
SCHEMBL6060000 0.92 CPB2 (0.39) L3MBTL1CPB2MEN1KMT2AMKNK2
Malonic Acid Diethyl Ester SCHEMBL7380431 0.87 PPARG (0.36) L3MBTL1CPB2MKNK2PPARGTSHR
SCHEMBL6058797 0.82 PPARG (0.36) L3MBTL1CPB2MKNK2PPARGALDH1A1
SCHEMBL6058861 0.81 CPB2 (0.42) L3MBTL1CPB2MEN1KMT2AMKNK2
SCHEMBL6059454 0.80 MEN1 (0.35) L3MBTL1CPB2MEN1KMT2AMKNK2
SCHEMBL6058628 0.79 PPARG (0.39) L3MBTL1MKNK2PPARGTSHRALDH1A1
SCHEMBL6059152 0.78 STK17B (0.42) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL6059420 0.77 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AMKNK2PPARG
SCHEMBL6058971 0.77 STK17B (0.41) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed