Alcohol

Alcohol

SCHEMBL5866024

C#CC(I)OC(N)=O.CCO

nearest known ligand 0.34

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 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL943375 0.89
Alcohol SCHEMBL5865954 0.82
Alcohol SCHEMBL5865952 0.76 LMNA (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL11312836 0.72 ALDH1A1 (0.46) LMNATSHRALOX15
SCHEMBL28165020 0.72
SCHEMBL7629357 0.71
SCHEMBL677807 0.71 LMNA (0.31) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9621020 0.70 CYP2D6 (0.31) LMNATSHRMAPT
SCHEMBL9480623 0.69
Alcohol SCHEMBL11744996 0.69 LMNA (0.46) LMNACHRM2CHRM4CHRM5CHRM1

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
US-7078049-B2 Ultrafine emulsion containing a haloalkynyl derivative L'OREAL (FR) 2006-07-18 US claimed
US-20030073689-A1 Ultrafine emulsion containing a haloalkynyl derivative L'OREAL (FR) 2003-04-17 US claimed
US-5374378-A Flowable microbicidal agents BAYER AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed