Cetyl Alcohol

Cetyl Alcohol

SCHEMBL3167243

CCCCCCCCCCCCCCCCO.O=CC[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.46
SGPL1 O95470 4/20 0.44
PTPN1 P18031 1/20 0.44
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR2 O95136 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSPO P30536 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR3 Q9UBY5 3/20 0.43
MPI P34949 1/20 0.43
LPAR6 P43657 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
ENPP2 Q13822 1/20 0.43
PLA2G4A P47712 1/20 0.41

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
SCHEMBL213770 0.84 MPI (0.58) LPAR5SGPL1MPI
SCHEMBL1353551 0.84 MPI (0.58) LPAR5SGPL1MPI
SCHEMBL3507132 0.84 MPI (0.58) LPAR5SGPL1MPI
SCHEMBL20553435 0.84 MPI (0.58) LPAR5SGPL1MPI
1-Hexanol SCHEMBL29204266 0.78 PGD (0.54) LPAR5SGPL1PTPN1LPAR1LPAR3
SCHEMBL4594608 0.77 MPI (0.62) LPAR5SGPL1MPI
SCHEMBL20857032 0.77 MPI (0.62) LPAR5SGPL1MPI
SCHEMBL139868 0.77 MPI (0.62) LPAR5SGPL1MPI
1-Pentanol SCHEMBL29204291 0.77 PGD (0.55) LPAR5SGPL1PTPN1LPAR1LPAR3
Acetaldehyde SCHEMBL22264056 0.76 MPI (0.56) LPAR5SGPL1MPI

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
EP-1641920-B1 GLUTAMINE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE (GFAT) COMPRISING AN INTERNAL PURIFICATION MARKER AND USE THEREOF FOR THE SCREENING OF COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2010-03-17 EP disclosed
EP-1641920-A1 GLUTAMINE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE (GFAT) COMPRISING AN INTERNAL PURIFICATION MARKER AND USE THEREOF FOR THE SCREENING OF COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-04-05 EP disclosed
WO-2005005628-A1 GLUTAMINE:FRUCTOSE-6-PHOSPHATE AMIDOTRANSFERASE (GFAT) COMPRISING AN INTERNAL PURIFICATION MARKER AND USE THEREOF FOR THE SCREENING OF COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-01-20 WO disclosed