Diethyl Maleate

Diethyl Maleate

SCHEMBL4453231

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

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.67
MAPT P10636 5/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 2/20 0.43
MDM2 Q00987 1/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 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
Diethyl Maleate SCHEMBL4453230 1.00 HCAR2 (0.67) HCAR2MAPTATMALDH1A1NPSR1
Ethyl Fumarate SCHEMBL2521076 0.91 HCAR2 (0.83) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL28226329 0.90 HCAR2 (0.67) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL20561650 0.90 HCAR2 (0.73) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL5608030 0.90 HCAR2 (0.73) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL5608025 0.90 HCAR2 (0.73) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL2015895 0.89 HCAR2 (0.80) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL2015896 0.89 HCAR2 (0.80) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL42602 0.89 HCAR2 (0.80) HCAR2MAPTATMALDH1A1NPSR1
Diethyl Maleate SCHEMBL43033 0.89 HCAR2 (0.80) HCAR2MAPTATMALDH1A1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976934-A4 RADIATION CURABLE SYSTEM GARNETT JOHN LYNDON (AU) 2009-05-13 EP disclosed
EP-1976934-A1 RADIATION CURABLE SYSTEM Garnett, John Lyndon (AU) 2008-10-08 EP disclosed
WO-2007079541-A1 RADIATION CURABLE SYSTEM GARNETT JOHN LYNDON (AU) 2007-07-19 WO disclosed