SCHEMBL29005789

SCHEMBL29005789

COC(=O)C(N)CCC(=O)N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.37
SLC1A1 P43005 2/20 0.33
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GSR P00390 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIK1 P39086 1/20 0.31
GRM5 P41594 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRIK3 Q13003 1/20 0.31

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
SCHEMBL28364695 0.82 SLC1A1 (0.31) SLC1A1
SCHEMBL27955345 0.78 GSR (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL8234490 0.78 GRM8 (0.34) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL4459591 0.78 GRM8 (0.34) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL16552414 0.75 LTA4H (0.33) LTA4HSLC1A1CA1CA2
SCHEMBL11776470 0.74 SMN1; SMN2 (0.42) LTA4HSLC1A1CA1CA2
SCHEMBL18533469 0.74 LTA4H (0.43) LTA4HSLC1A1GRM8GRM6GRIN2D
SCHEMBL10633429 0.74 ALOX15 (0.47) LTA4HSLC1A1GRM8GRM6GRIN2D
SCHEMBL21268583 0.74 SLC1A1 (0.48) LTA4HSLC1A1GRM8GRM6GRIN2D
SCHEMBL20474981 0.74 SLC1A1 (0.47) LTA4HSLC1A1GRM8GRM6GRIN2D

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
CN-112979917-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2023-04-25 CN disclosed