Alcohol

Alcohol

SCHEMBL11290103

CCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cc(C(OS(C)(=O)=O)C(N)C(C)(C)C)ccc1OC(=O)c1ccc(C)cc1.CCO

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
TOP2A P11388 2/20 0.34
KMT2A Q03164 5/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLM Q9NP87 1/20 0.32
POLK Q9UBT6 1/20 0.32
POLL Q9UGP5 1/20 0.32
POLH Q9Y253 1/20 0.32
MEN1 O00255 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC22A2 O15244 1/20 0.31
TMPRSS2 O15393 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
F12 P00748 1/20 0.31
PLAU P00749 1/20 0.31

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 SCHEMBL11283321 0.91 TSHR (0.36) KMT2ANPC1RAB9AMEN1THRB
Alcohol SCHEMBL11287413 0.91 ALOX15 (0.47) ALOX15TOP2AKMT2APOLMPOLK
Alcohol SCHEMBL11283773 0.91 ALOX15 (0.47) ALOX15TOP2AKMT2APOLMPOLK
Alcohol SCHEMBL11288385 0.91 ALOX15 (0.47) ALOX15TOP2AKMT2APOLMPOLK
Alcohol SCHEMBL11277070 0.88 CCR5 (0.36) KMT2ARAB9ATHRBSMN1; SMN2TSHR
Alcohol SCHEMBL11287407 0.88 CCR5 (0.36) KMT2ARAB9ATHRBSMN1; SMN2TSHR
Alcohol SCHEMBL11290646 0.88 TSHR (0.38) KMT2ANPC1RAB9AMEN1THRB
Alcohol SCHEMBL11282266 0.84 ESR1 (0.38) KMT2ANPC1RAB9AMEN1SMN1; SMN2
Alcohol SCHEMBL11282468 0.84 THRB (0.34) ALOX15THRBTSHRGAATDP1
Alcohol SCHEMBL11284343 0.83 ALOX15 (0.38) ALOX15KMT2ANPC1POLMPOLK

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-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