SCHEMBL9028333

SCHEMBL9028333

CCCCC(CCCC)C(=O)ON

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.55
CA1 P00915 4/20 0.55
MAPK1 P28482 1/20 0.50
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.47
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CPB2 Q96IY4 1/20 0.38
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL2202401 0.91 CA2 (0.68) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL7706127 0.90 CA2 (0.66) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL1773930 0.90 CA2 (0.66) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL3450924 0.88 CA2 (0.48) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL19393738 0.86 HDAC1 (0.50) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL11239112 0.85 CA2 (0.46) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL11247190 0.85 CA2 (0.46) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL4366761 0.85 CPB2 (0.50) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL11244094 0.85 CA2 (0.46) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL29292341 0.84 CA2 (0.58) CA2CA1MAPK1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1314696-C 2-O- (beta-D-glucopyranosyl) ascorbic acid, process for its production and food and cosmetic products comprising compositions containing it SUNTORY LTD (JP) 2007-05-09 CN disclosed
CN-1610691-A 2-O-(beta-D-glucopyranosyl)ascorbic acid, process for its production, and foods and cosmetics containing compositions comprising it SUNTORY LTD (JP) 2005-04-27 CN disclosed
EP-0485061-B1 Substituted cyclopentenyloxabicyclooctanes, cyclopentenyl-formylcyclohexenes, cyclopentenylhydroxymethyl cyclohexenes and camphonyl spirocyclooxaoctane-containing compositions, organoleptic uses thereof and process for preparing same INT FLAVORS & FRAGRANCES INC (US) 1996-01-03 EP disclosed
US-5128317-A Perfume for detergents, cosmetics INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) 1992-07-07 US disclosed
EP-0485061-A1 Substituted cyclopentenyloxabicyclooctanes, cyclopentenyl-formylcyclohexenes, cyclopentenylhydroxymethyl cyclohexenes and camphonyl spirocyclooxaoctane-containing compositions, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-05-13 EP disclosed
US-5087707-A Substituted cyclopentenyl-oxabicyclooctanes, cyclopentenyl-formylcyclohexenes and cyclopentenyl-hydroxymethyl cyclohexenes, processes for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-02-11 US disclosed
US-5081262-A Substituted cyclopentenyl oxabicyclooctanes, cyclopentenylformylcyclohexenes and cyclopentenylhydroxymethyl cyclohexenes, processes for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-01-14 US disclosed
US-5070073-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-12-03 US disclosed