SCHEMBL546798

SCHEMBL546798

CCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
LGALS8 O00214 2/20 0.44
MAPT P10636 1/20 0.44
SLC28A3 Q9HAS3 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL8431126 1.00 PYGB (0.51) PYGBL3MBTL1LGALS8MAPTSLC28A3
SCHEMBL17080327 1.00 PYGB (0.51) PYGBL3MBTL1LGALS8MAPTSLC28A3
SCHEMBL17080326 1.00 PYGB (0.51) PYGBL3MBTL1LGALS8MAPTSLC28A3
SCHEMBL10325422 0.91 MAPK1 (0.46) PYGBL3MBTL1MAPK1
SCHEMBL28125354 0.91 MAPK1 (0.46) PYGBL3MBTL1MAPK1
SCHEMBL10325423 0.91 MAPK1 (0.46) PYGBL3MBTL1MAPK1
SCHEMBL28125353 0.91 MAPK1 (0.46) PYGBL3MBTL1MAPK1
SCHEMBL10325424 0.91 MAPK1 (0.46) PYGBL3MBTL1MAPK1
SCHEMBL17938837 0.90 L3MBTL1 (0.46) PYGBL3MBTL1LGALS8MAPTSLC28A3
SCHEMBL1705332 0.89 TLR4 (0.50) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110722-B2 Aromatic acyltransferase genes LOCAL INDEPENDENT ADMINISTRATIVE INSTITUTION AOMORI PREFECTURAL INDUSTRIAL TECHNOLOGY RESEARCH CENTER (JP) 2012-02-07 US disclosed
CN-101292028-B Novel aromatic acyl transferase gene QING SENXIAN 2011-10-12 CN disclosed
EP-1947179-B1 NOVEL AROMATIC ACYL GROUP TRANSFERASE GENES LOCAL INDEPENDENT ADMINISTRATIVE INSTITUTION AOMORI PREFECTURAL IND TECHNOLOGY RES CT (JP) 2011-09-21 EP disclosed
US-20090288225-A1 Novel Aromatic Acyltransferase Genes AOMORI PREFECTURE (JP) 2009-11-19 US disclosed
CN-101292028-A Novel aromatic acyl transferase gene QING SENXIAN (JP) 2008-10-22 CN disclosed
EP-1947179-A1 NOVEL AROMATIC ACYL GROUP TRANSFERASE GENE Aomori prefecture (JP) 2008-07-23 EP disclosed
EP-1329456-A1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2003-07-23 EP disclosed