Ethyl Ferulate

Ethyl Ferulate

SCHEMBL21801022

CCOC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)C=Cc1ccc(O)c(O)c1

nearest known ligand 0.83

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.83
TTR P02766 2/20 0.74
DPP4 P27487 1/20 0.74
CA12 O43570 4/20 0.71
CA4 P22748 4/20 0.71
CA6 P23280 4/20 0.71
CA5A P35218 4/20 0.71
CA7 P43166 4/20 0.71
CA9 Q16790 4/20 0.71
CA14 Q9ULX7 4/20 0.71
CA5B Q9Y2D0 4/20 0.71
KDM4E B2RXH2 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA3 P07451 2/20 0.71
PKM P14618 2/20 0.71
SNCA P37840 2/20 0.71
CSNK2A2 P19784 1/20 0.71
CSNK2B P67870 1/20 0.71
CSNK2A1 P68400 1/20 0.71

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 Ferulate SCHEMBL21801021 1.00 MAOB (0.83) MAOBTTRDPP4CA12CA4
Ethyl Caffeate SCHEMBL21801020 1.00 MAOB (0.83) MAOBTTRDPP4CA12CA4
Ethyl Ferulate SCHEMBL17866311 0.91 MAOB (1.00) MAOBTTRDPP4CA12CA4
Ethyl Ferulate SCHEMBL21807752 0.91 MAOB (1.00) MAOBTTRDPP4CA12CA4
Ethyl Ferulate SCHEMBL29392788 0.91 MAOB (1.00) MAOBTTRDPP4CA12CA4
Ethyl Ferulate SCHEMBL187331 0.91 MAOB (1.00) MAOBTTRDPP4CA12CA4
Ethyl Ferulate SCHEMBL31491261 0.91 MAOB (1.00) MAOBTTRDPP4CA12CA4
Ethyl Ferulate SCHEMBL73132 0.91 MAOB (1.00) MAOBTTRDPP4CA12CA4
Ferulate SCHEMBL289637 0.89 KDM4E (0.91) MAOBTTRDPP4CA12CA4
Ferulate SCHEMBL29069307 0.89 KDM4E (0.91) MAOBTTRDPP4CA12CA4

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
WO-2020053580-A1 MOLECULAR HEATER FOR PLANTS THE UNIVERSITY OF BRISTOL (GB) 2020-03-19 WO claimed