Alcohol

Alcohol

SCHEMBL28108166

CCO.[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

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
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HPGD P15428 2/20 0.33
BCL2L1 Q07817 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GLA P06280 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
Alcohol SCHEMBL28542828 0.95 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NPSR1TP53
Alcohol SCHEMBL28128224 0.95 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NPSR1TP53
Methyl Alcohol SCHEMBL27441488 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10NPSR1TP53
SCHEMBL10357730 0.83 TP53 (0.41) ALDH1A1LMNAHSD17B10NPSR1TP53
SCHEMBL10587125 0.83 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10NPSR1TP53
SCHEMBL10380822 0.83 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10NPSR1TP53
SCHEMBL30069233 0.83 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10NPSR1TP53
SCHEMBL135430 0.83 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10NPSR1TP53
Ethylamine SCHEMBL2230804 0.81 TP53 (0.39) ALDH1A1LMNAHSD17B10NPSR1TP53
Potassium Ion SCHEMBL28138096 0.80 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10NPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106353218-A Continuous determination method of potassium nitrate and sodium nitrate mixed salt bath 江南工业集团有限公司 2017-01-25 CN claimed
CN-106370685-A Method for determining content of potassium in industrial potassium chloride 吴俊逸 2017-02-01 CN disclosed
CN-106353218-A Continuous determination method of potassium nitrate and sodium nitrate mixed salt bath 江南工业集团有限公司 2017-01-25 CN disclosed
CN-106248709-A A kind of measure the method for potassium content in fireworks and firecrackers firework medicament 吴俊逸 2016-12-21 CN disclosed
CN-106124547-A A kind of measure the method for potassium content in industrial potassium nitrate 吴俊逸 2016-11-16 CN disclosed