Ethyl Fumarate

Ethyl Fumarate

SCHEMBL4179969

CCOC(=O)/C=C\C(=O)O.COC(=O)/C=C\C(=O)O

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KEAP1

The experimentally established mechanism targets of Ethyl Fumarate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 known ✓ Q14145 1/20 0.54
HCAR2 Q8TDS4 9/20 0.83
NFE2L2 Q16236 1/20 0.54
MAPT P10636 7/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.43
MDM2 Q00987 2/20 0.43
MDM4 O15151 1/20 0.43
ATM Q13315 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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 SCHEMBL4179975 1.00 HCAR2 (0.83) HCAR2KEAP1NFE2L2MAPTALDH1A1
Ethyl Fumarate SCHEMBL28185445 1.00 HCAR2 (0.83) HCAR2KEAP1NFE2L2MAPTALDH1A1
Ethyl Fumarate SCHEMBL18863283 0.94 HCAR2 (0.74) HCAR2KEAP1NFE2L2MAPTALDH1A1
Ethyl Fumarate SCHEMBL502319 0.91 HCAR2 (0.91) HCAR2MAPTLMNAMDM2MDM4
Diethyl Maleate SCHEMBL1997508 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTALDH1A1
Ethyl Fumarate SCHEMBL60569 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1LMNAMDM2
SCHEMBL847081 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTALDH1A1
Ethyl Fumarate SCHEMBL1133858 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1LMNAMDM2
Diethyl Maleate SCHEMBL10994278 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1LMNAMDM2
Diethyl Maleate SCHEMBL19873394 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1LMNAMDM2

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
US-20090142593-A1 PRESSURE-SENSITIVE ADHESIVE TAPE NITTO DENKO CORPORATION (JP) 2009-06-04 US disclosed
EP-0467168-A2 Aqueous preparations from copolymer latices and polyisocyanate dispersions BASF Aktiengesellschaft (DE) 1992-01-22 EP disclosed