SCHEMBL19696723

SCHEMBL19696723

CC(=O)CCC(N)C(=O)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ GRIK1 P39086 2/20 0.39
▸ GRM8 O00222 1/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GSR P00390 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIK2 Q13002 1/20 0.39
▸ GRIK3 Q13003 1/20 0.39

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
SCHEMBL25887996 0.80 ALDH1A1 (0.45) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL16020420 0.80 ALDH1A1 (0.45) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL14273882 0.80 ALDH1A1 (0.45) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL27349738 0.80 GSR (0.42) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL27349737 0.80 GSR (0.42) GRIK1GRM8GRM6GRIN2DGRIN3B
SCHEMBL3870432 0.78 KMT2A (0.44) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL20107051 0.78 KMT2A (0.44) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL3867126 0.78 GSR (0.65) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL1330943 0.78 GSR (0.65) ALDH1A1GRIK1GRM8GRM6GRIN2D
SCHEMBL15871922 0.78 CYP1A2 (0.65) GRIK1GRM8GRM6GRIN2DGRIN3B

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-9839694-B2 Reduction of endotoxins from polyanionic polymer conjugates NITTO DENKO CORPORATION (JP) 2017-12-12 — — US disclosed
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