Ethyl Fumarate

Ethyl Fumarate

SCHEMBL9678697

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

nearest known ligand 0.69

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.69
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.38
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
Ethyl Fumarate SCHEMBL9678685 1.00 HCAR2 (0.69) HCAR2ALDH1A1LMNAHSD17B10MAPT
Ethyl Fumarate SCHEMBL10900161 0.97 HCAR2 (0.65) HCAR2ALDH1A1LMNAHSD17B10MAPT
Ethyl Fumarate SCHEMBL10899884 0.95 HCAR2 (0.62) HCAR2ALDH1A1LMNAHSD17B10MAPT
Ethyl Fumarate SCHEMBL10897357 0.94 HCAR2 (0.61) HCAR2ALDH1A1LMNAHSD17B10MAPT
Diethyl Maleate SCHEMBL11796378 0.93 HCAR2 (0.55) HCAR2ALDH1A1LMNAHSD17B10MAPT
Maleic Acid SCHEMBL1766045 0.92 HCAR2 (0.56) HCAR2ALDH1A1LMNAHSD17B10MAPT
SCHEMBL2358640 0.85 MAPT (0.47) HCAR2ALDH1A1MAPTATM
SCHEMBL14723490 0.85 MAPT (0.47) HCAR2ALDH1A1MAPTATM
SCHEMBL2358642 0.85 MAPT (0.47) HCAR2ALDH1A1MAPTATM
Acrylic Acid Ethyl Ester SCHEMBL11043394 0.84 HCAR2 (0.46) HCAR2ALDH1A1LMNAHSD17B10MAPT

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
EP-0499957-A2 Selectively soluble, protective coating compositions derived from vinyl acetate/monoalkyl maleate copolymers AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-08-26 EP disclosed