Alcohol

Alcohol

SCHEMBL11280907

CC(C)(C)C(=O)Oc1ccc(C(OS(C)(=O)=O)C(N)C(C)(C)C)cc1O.CCO

nearest known ligand 0.38

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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRB2 P07550 1/20 0.38
CA2 P00918 7/20 0.34
ELANE P08246 11/20 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
Alcohol SCHEMBL11287916 0.90 ELANE (0.35) ELANE
Alcohol SCHEMBL11286254 0.88 NFKB1 (0.30)
Alcohol SCHEMBL11277420 0.88 ALOX15 (0.38) LMNACYP3A4HIF1AADRB2
Alcohol SCHEMBL11281555 0.86 ALDH1A1 (0.36) ALDH1A1LMNACYP3A4HIF1AADRB2
Alcohol SCHEMBL11283473 0.86 KMT2A (0.36) ALDH1A1CYP3A4ADRB2
Alcohol SCHEMBL11282266 0.85 ESR1 (0.38) ALDH1A1LMNA
Alcohol SCHEMBL11277403 0.83 KMT2A (0.43) LMNACYP3A4ADRB2CA2
Alcohol SCHEMBL11283773 0.76 ALOX15 (0.47) ALDH1A1LMNACYP3A4HIF1ACA2
Alcohol SCHEMBL11282468 0.76 THRB (0.34) ALDH1A1LMNACYP3A4HIF1AADRB2
Alcohol SCHEMBL11288385 0.76 ALOX15 (0.47) ALDH1A1LMNACYP3A4HIF1ACA2

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
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US claimed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed