SCHEMBL2928348

SCHEMBL2928348

NC(CCC=O)C(=O)C(N)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.54
GRM6 O15303 1/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GSR P00390 1/20 0.54
CYP1A2 P05177 1/20 0.54
GRIK1 P39086 1/20 0.54
GRM5 P41594 1/20 0.54
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA3 P42263 1/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
GRIA4 P48058 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIK2 Q13002 1/20 0.54
GRIK3 Q13003 1/20 0.54
GRIN2B Q13224 1/20 0.54

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
SCHEMBL15124709 1.00 GRM8 (0.54) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL4305231 0.85 CYP1A2 (0.71) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL25384088 0.85 CYP1A2 (0.71) GRM8GRM6GRIN2DGRIN3BGSR
D-Glutamate SCHEMBL1470464 0.80 GRM8 (0.72) GRM8GRM6GRIN2DGRIN3BGSR
Glutamic Acid SCHEMBL2593247 0.78 GRM8 (0.69) GRM8GRM6GRIN2DGRIN3BGSR
D-Glutamate SCHEMBL9474068 0.78 GRM8 (0.69) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL676725 0.78 ALDH1A1 (0.33) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL5074626 0.78 CYP1A2 (0.56) GRM8GRM6GRIN2DGRIN3BGSR
D-Glutamate SCHEMBL1469787 0.77 GRM8 (0.67) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL2538510 0.77 CYP1A2 (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN claimed
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 CN disclosed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN disclosed
EP-2888356-A1 METHODS AND MICROORGANISMS FOR THE BIOLOGICAL SYNTHESIS OF (S)-2-AMINO-6-HYDROXYPIMELATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROATE Bioamber Inc. (US) 2015-07-01 EP disclosed
US-20150072399-A1 Methods, Systems And Compositions Related To Reduction Of Conversions Of Microbially Produced 3-Hydroxypropionic Acid (3-HP) To Aldehyde Metabolites OPX BIOTECHNOLOGIES, INC. (US) 2015-03-12 US disclosed
WO-2014031724-A1 METHODS AND MICROORGANISMS FOR THE BIOLOGICAL SYNTHESIS OF (S)-2-AMINO-6-HYDROXYPIMELATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROATE BIOAMBER INC. (US) 2014-02-27 WO disclosed
US-20130189787-A1 Methods, Systems And Compositions Related To Reduction Of Conversions Of Microbially Produced 3-Hydroxyproplonic Acid (3-HP) To Aldehyde Metabolites OPX BIOTECHNOLOGIES ,INC. 2013-07-25 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed