Ethyl Fumarate

Ethyl Fumarate

SCHEMBL27346535

C=C.C=CC(=O)OC.CCOC(=O)/C=C\C(=O)O

nearest known ligand 0.69

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 9/20 0.69
▸ MAPT P10636 7/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ MDM2 Q00987 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ THRB P10828 1/20 0.38

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 SCHEMBL1067038 0.89 HCAR2 (0.80) HCAR2MAPTALDH1A1HPGDTSHR
Ethyl Fumarate SCHEMBL16176170 0.89 HCAR2 (0.65) HCAR2MAPTALDH1A1HPGDTSHR
Ethyl Fumarate SCHEMBL28185445 0.87 HCAR2 (0.83) HCAR2MAPTALDH1A1KEAP1NFE2L2
Ethyl Fumarate SCHEMBL4179969 0.87 HCAR2 (0.83) HCAR2MAPTALDH1A1KEAP1NFE2L2
Ethyl Fumarate SCHEMBL2776691 0.87 HCAR2 (0.83) HCAR2MAPTALDH1A1LMNAMDM2
Ethyl Fumarate SCHEMBL9467940 0.87 HCAR2 (0.83) HCAR2MAPTALDH1A1LMNAMDM2
Ethyl Fumarate SCHEMBL11309874 0.87 HCAR2 (0.83) HCAR2MAPTALDH1A1LMNAMDM2
Ethyl Fumarate SCHEMBL4179975 0.87 HCAR2 (0.83) HCAR2MAPTALDH1A1KEAP1NFE2L2
Ethyl Fumarate SCHEMBL433387 0.87 HCAR2 (0.91) HCAR2MAPTALDH1A1LMNAMDM2
Ethyl Fumarate SCHEMBL28242388 0.87 HCAR2 (0.91) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1031885-C Thermoplastic elastomeric compositions DU PONT (US) 1996-05-29 — — CN disclosed
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