SCHEMBL689292

SCHEMBL689292

C=C(C)C(=O)OCCOC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
CYP1A2 P05177 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44

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
SCHEMBL689291 0.87 THRB (0.46) THRBSLC1A1TSHRBLMMAPT
SCHEMBL28887306 0.83 CYP1A2 (0.47) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL28887305 0.83 CYP1A2 (0.47) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL2262259 0.82 CYP1A2 (0.46) THRBGRM8GRM6GRIN2DGRIN3B
Succinic Acid SCHEMBL5426323 0.80 THRB (0.61) THRBTSHRLMNAPOLBAPEX1
SCHEMBL689290 0.79 THRB (0.45) THRBGRM8GRM6GRIN2DGRIN3B
SCHEMBL28535443 0.79 THRB (0.45) THRBGSRTSHRDPP4DPP9
SCHEMBL28160062 0.79 THRB (0.45) THRBGSRTSHRDPP4DPP9
SCHEMBL21051136 0.78 CYP1A2 (0.52) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL9005556 0.78 CYP1A2 (0.52) GRM8GRM6GRIN2DGRIN3BGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1795566-B1 RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL, WATER-BASED COATING MATERIAL, AND PROCESS FOR PRODUCING RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL DAINIPPON INK & CHEMICALS (JP) 2012-02-29 EP disclosed
US-7737213-B2 Resin composition for water paint, water paint, and production method for resin composition for water paint DIC CORPORATION (JP) 2010-06-15 US disclosed
US-20080167424-A1 Resin Composition For Water Paint, Water Paint, And Production Method For Resin Composition For Water Paint DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-07-10 US disclosed
EP-1795566-A1 RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL, WATER-BASED COATING MATERIAL, AND PROCESS FOR PRODUCING RESIN COMPOSITION FOR WATER-BASED COATING MATERIAL Dainippon Ink and Chemicals, Incorporated (JP) 2007-06-13 EP disclosed