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Sugi Predict / Compounds / Isoeugenol

Isoeugenol

Isoeugenol

SCHEMBL1865809

C/C=C/c1ccc(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ PTGS1 P23219 2/20 0.76
▸ AR P10275 1/20 0.76
▸ TRPM8 Q7Z2W7 1/20 0.76
▸ TYR P14679 2/20 0.70
▸ GABRA1 P14867 3/20 0.58
▸ GABRB2 P47870 3/20 0.58
▸ MAOA P21397 2/20 0.58
▸ MAOB P27338 2/20 0.58
▸ TRPA1 O75762 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ PPARD Q03181 1/20 0.55
▸ PPARA Q07869 1/20 0.55
▸ TTR P02766 1/20 0.52
▸ NFE2L2 Q16236 3/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TSHR P16473 2/20 0.51

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
Eugenol SCHEMBL1865810 1.00 ALOX5 (0.76) ALOX5ALDH1A1CYP3A4PTGS1AR
Methyleugenol SCHEMBL8390318 0.96 ALDH1A1 (0.70) ALOX5ALDH1A1CYP3A4PTGS1AR
Methylisoeugenol SCHEMBL1869594 0.96 ALDH1A1 (0.70) ALOX5ALDH1A1CYP3A4PTGS1AR
Eugenol SCHEMBL19612777 0.91 ALOX5 (0.70) ALOX5ALDH1A1CYP3A4PTGS1AR
Eugenol SCHEMBL19612776 0.91 ALOX5 (0.70) ALOX5ALDH1A1CYP3A4PTGS1AR
Cis/Trans-Isoeugenol SCHEMBL2686821 0.90 TYR (0.67) ALOX5ALDH1A1CYP3A4PTGS1AR
Eugenol SCHEMBL16556298 0.90 ALOX5 (0.72) ALOX5ALDH1A1CYP3A4PTGS1AR
Eugenol SCHEMBL16556301 0.90 ALOX5 (0.72) ALOX5ALDH1A1CYP3A4PTGS1AR
Methyleugenol SCHEMBL27082228 0.87 ALDH1A1 (0.73) ALOX5ALDH1A1CYP3A4PTGS1AR
Eugenol SCHEMBL2514503 0.87 ALDH1A1 (0.93) ALOX5ALDH1A1CYP3A4PTGS1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970547-A2 MONOMERS AND POLYMERS DERIVED FROM NATURAL PHENOLS Ndsu Research Foundation (US) 2016-01-20 — — EP disclosed
WO-2014197041-A2 MONOMERS AND POLYMERS DERIVED FROM NATURAL PHENOLS NSDU RESEARCH FOUNDATION (US) 2014-12-11 — — WO disclosed
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 — — EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 — — WO disclosed
EP-1137425-A1 CANCER TREATMENT COMPOSITION AND METHOD USING SIGNAL TRANSDUCTION MODULATORS AND NATURAL PLANT ESSENTIAL OILS Ecosmart Technologies Inc. (US) 2001-10-04 — — EP disclosed
EP-1052905-A1 ANTI-GERMINATING METHOD FOR TUBERS AND BULBS USING EUGENOL AND/OR ISOEUGENOL XEDA INTERNATIONAL (FR) 2000-11-22 — — EP disclosed
EP-1052904-A1 POST-HARVEST METHOD FOR TREATING FRUITS AND VEGETABLES USING EUGENOL AND/OR ISOEUGENOL XEDA INTERNATIONAL (FR) 2000-11-22 — — EP disclosed
WO-2000033856-A1 CANCER TREATMENT COMPOSITION AND METHOD USING SIGNAL TRANSDUCTION MODULATORS AND NATURAL PLANT ESSENTIAL OILS ECOSMART TECHNOLOGIES, INC. (US) 2000-06-15 — — WO disclosed
WO-2000032053-A1 POST-HARVEST METHOD FOR TREATING FRUITS AND VEGETABLES USING EUGENOL AND/OR ISOEUGENOL XEDA INTERNATIONAL (FR) 2000-06-08 — — WO disclosed
WO-2000032054-A1 ANTI-GERMINATING METHOD FOR TUBERS AND BULBS USING EUGENOL AND/OR ISOEUGENOL XEDA INTERNATIONAL (FR) 2000-06-08 — — WO disclosed