Isoeugenol

Isoeugenol

SCHEMBL21623923

C/C=C/c1ccc(O)c(OC)c1.CO

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.96
TTR P02766 1/20 0.69
NFE2L2 Q16236 3/20 0.67
ALOX5 P09917 3/20 0.65
CYP2D6 P10635 3/20 0.65
CYP1A2 P05177 2/20 0.65
NFKB1 P19838 2/20 0.65
HSD11B1 P28845 2/20 0.65
STAT3 P40763 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
XDH P47989 1/20 0.65
APP P05067 5/20 0.63
KDM4E B2RXH2 2/20 0.63
CA12 O43570 2/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA3 P07451 2/20 0.63
PKM P14618 2/20 0.63
CA4 P22748 2/20 0.63

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
Cis/Trans-Isoeugenol SCHEMBL21623924 1.00 TYR (0.96) TYRTTRNFE2L2ALOX5CYP2D6
Isoeugenol SCHEMBL57986 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Cis/Trans-Isoeugenol SCHEMBL29361918 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Isoeugenol SCHEMBL2463281 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Cis/Trans-Isoeugenol SCHEMBL57987 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Cis/Trans-Isoeugenol SCHEMBL2463283 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Isoeugenol SCHEMBL300766 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Isoeugenol SCHEMBL29369838 0.98 TYR (1.00) TYRTTRNFE2L2ALOX5CYP2D6
Cis/Trans-Isoeugenol SCHEMBL112938 0.96 TYR (0.96) TYRTTRNFE2L2ALOX5CYP2D6
Isoeugenol SCHEMBL432121 0.96 TYR (0.96) TYRTTRNFE2L2ALOX5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911172-A1 COMBINATION REMEDY Symrise AG (DE) 2021-11-24 EP disclosed
EP-3823455-A1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS Symrise AG (DE) 2021-05-26 EP disclosed
WO-2020147977-A1 COMBINATION REMEDY SYMRISE AG (DE) 2020-07-23 WO disclosed
WO-2020015816-A1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS SYMRISE AG (DE) 2020-01-23 WO disclosed