Alcohol

Alcohol

SCHEMBL7209873

C=CC(C)CCCC(C)(C)O.CCO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.35
KCNH3 Q9ULD8 1/20 0.32

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
SCHEMBL29473919 0.94 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL29192 0.94 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL8338114 0.94 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL113015 0.94 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL28130263 0.92 MEN1 (0.40) MEN1CYP3A4ALOX15KMT2AALDH1A1
Formic Acid SCHEMBL29257664 0.86 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2AALDH1A1
Acetic Acid SCHEMBL29257654 0.85 MEN1 (0.36) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL28568031 0.83 ALDH1A1 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
Diethylene Glycol Monoethyl Ether SCHEMBL3676059 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL28966128 0.80 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2AKCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927238-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES PROCTER & GAMBLE (US) 2003-05-21 EP disclosed
EP-1056702-A1 TERTIARY ALCOHOL FRAGRANCE RAW MATERIAL DELIVERY SYSTEM The Procter & Gamble Company (US) 2000-12-06 EP disclosed
US-6093691-A BETA-KETOESTER PROFRAGRANCES SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 2-(BETA-NAPHTHY)-3-OXO-PROPIONATE, AND FABRIC SOFTENING INGREDIENTS SUCH AS CATIONIC FABRIC SOFTENERS, STABILIZERS THE PROCTER & GAMBLE COMPANY (US) 2000-07-25 US disclosed
WO-1999043639-A1 TERTIARY ALCOHOL FRAGRANCE RAW MATERIAL DELIVERY SYSTEM THE PROCTER & GAMBLE COMPANY (US) 1999-09-02 WO disclosed
EP-0927238-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
EP-0695166-A1 PERFUME COMPOSITION QUEST INTERNATIONAL NEDERLAND BV (NL) 1996-02-07 EP disclosed
US-5482635-A Fabric conditioner with deodorant perfume composition LEVER BROTHERS COMPANY (US) 1996-01-09 US disclosed
WO-1994024999-A2 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 1994-11-10 WO disclosed