SCHEMBL865038

SCHEMBL865038

C/C=C/CNCC(=O)O.C/C=C\CC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.50
GRIK2 Q13002 9/20 0.50
GRM8 O00222 2/20 0.40
GRM6 O15303 2/20 0.40
GRM7 Q14831 2/20 0.40
GRM4 Q14833 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GSR P00390 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL866402 1.00 GRIK1 (0.50) GRIK1GRIK2GRM8GRM6GRM7
SCHEMBL458049 0.82
SCHEMBL15703578 0.82
SCHEMBL8186027 0.82
SCHEMBL866068 0.82
SCHEMBL458050 0.82
SCHEMBL14388431 0.82
SCHEMBL13406449 0.82
SCHEMBL8186028 0.82
SCHEMBL455193 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077228-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed