Eugenol

Eugenol

SCHEMBL29943804

C=CCc1ccc(O)c(OC)c1.CC(=O)O.CC(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.85
ALOX5 P09917 3/20 0.85
PTGS1 P23219 2/20 0.85
CYP3A4 P08684 2/20 0.85
AR P10275 1/20 0.85
TRPM8 Q7Z2W7 1/20 0.85
GABRA1 P14867 2/20 0.62
GABRB2 P47870 2/20 0.62
PPARA Q07869 3/20 0.61
PPARG P37231 1/20 0.61
PPARD Q03181 1/20 0.61
TDP1 Q9NUW8 2/20 0.60
GAA P10253 2/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

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 SCHEMBL27608718 1.00 ALDH1A1 (0.85) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL114133 1.00 ALDH1A1 (0.85) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL27710638 0.98 ALDH1A1 (0.82) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL22719783 0.93 ALDH1A1 (0.78) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL6152218 0.93 ALDH1A1 (0.82) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL27472855 0.93 ALDH1A1 (0.82) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL16433004 0.93 ALDH1A1 (0.82) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL31189370 0.93 ALDH1A1 (0.82) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL1289317 0.92 ALDH1A1 (0.93) ALDH1A1ALOX5PTGS1CYP3A4AR
Eugenol SCHEMBL28883151 0.92 ALDH1A1 (0.93) ALDH1A1ALOX5PTGS1CYP3A4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232580-A Pressure sensitive adhesive and protective film 惠州市浩明科技股份有限公司 2022-10-25 CN claimed
CN-115232580-A Pressure sensitive adhesive and protective film 惠州市浩明科技股份有限公司 2022-10-25 CN disclosed
CN-115232580-A Pressure sensitive adhesive and protective film 惠州市浩明科技股份有限公司 2022-10-25 CN disclosed