Alcohol

Alcohol

SCHEMBL9533571

CCO.O=C([O-])CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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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 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.40
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CTSL P07711 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
SLC22A16 Q86VW1 1/20 0.32
CA1 P00915 3/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 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
SCHEMBL740787 0.92 CA4 (0.46) CA2CA4CYP3A4TSHRNFKB1
Methylamine SCHEMBL9540584 0.90 CA2 (0.43) CA2CA4CYP3A4TSHRNFKB1
Potassium Ion SCHEMBL7154954 0.87 CA4 (0.42) CA2CA4CTSLSLC22A16CPT2
Cetyl Alcohol SCHEMBL17986422 0.85 CA2 (0.41) CA2TSHRCA1
Tetrylammonium SCHEMBL6315154 0.85 CA4 (0.34) CA2CA4CTSLSLC22A16CPT2
SCHEMBL671816 0.79 RECQL (0.44) CA2TSHRCA1
SCHEMBL29913440 0.77 SLC22A6 (0.35) CA2CA4
Butane SCHEMBL20204269 0.76 CYP3A4 (0.43) CA2CA4CYP3A4TSHRNFKB1
SCHEMBL181245 0.75 CA2 (0.39) CA2CA4CTSLSLC22A16CPT2
SCHEMBL4903344 0.75 CA4 (0.33) CA2CA4

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-0550652-A1 DETERGENT COMPOSITIONS CONTAINING ALKYL ETHOXY CARBOZYLATES AND POLYHYDROXY FATTY ACID AMIDES. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
WO-1992006157-A1 DETERGENT COMPOSITIONS CONTAINING ALKYL ETHOXY CARBOZYLATES AND POLYHYDROXY FATTY ACID AMIDES THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed