Alcohol

Alcohol

SCHEMBL14920530

CCC(O)N(C)c1ccccc1.CCO.CN(C)c1ccc(N(C)CCCO)cc1

nearest known ligand 0.39

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 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
CYBB P04839 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
ALDH1A1 P00352 2/20 0.34
BCHE P06276 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 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
SCHEMBL6007228 0.78 SLC6A2 (0.49) L3MBTL1KDM4ESLC6A2SLC6A4ALDH1A1
SCHEMBL7524554 0.78 L3MBTL1 (0.46) L3MBTL1CYBBNOX4KDM4EPPARG
SCHEMBL14920406 0.78 ALDH1A1 (0.48) L3MBTL1CYBBNOX4KDM4EALDH1A1
SCHEMBL4358295 0.78 SLC6A2 (0.49) L3MBTL1KDM4ESLC6A2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL11398990 0.76 L3MBTL1 (0.46) L3MBTL1CYBBNOX4KDM4EPPARG
SCHEMBL9755649 0.73 OPRM1 (0.47) L3MBTL1CYBBNOX4KDM4EPPARG
SCHEMBL9436565 0.71 OPRM1 (0.46) L3MBTL1CYBBNOX4KDM4EPPARG
SCHEMBL3038423 0.71 OPRM1 (0.46) L3MBTL1CYBBNOX4KDM4EPPARG
1,4-Butanediol SCHEMBL3216941 0.71 RAB9A (0.47) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Alcohol SCHEMBL2682103 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773378-A1 PRODRUGS OF NON- STEROID ANTI - INFLAMMATORY AGENTS (NSAIDS) Larsen, Claus Selch (DK) 2014-09-10 EP disclosed
WO-2013064153-A1 PRODRUGS OF NON- STEROID ANTI - INFLAMMATORY AGENTS (NSAIDS) SELCH LARSEN CLAUS (DK) 2013-05-10 WO disclosed