SCHEMBL10779685

SCHEMBL10779685

[NH]C(=O)C(=NO)c1ccc(OC(=O)[C@H](N)CCC(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 9/20 0.36
PRSS1 P07477 8/20 0.36
LTA4H P09960 3/20 0.36
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GSR P00390 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRIK1 P39086 1/20 0.35
GRM5 P41594 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL10779693 0.89 GAA (0.45) TMPRSS15PRSS1LTA4HGRM8GRM6
SCHEMBL10333334 0.82 LTA4H (0.38) PRSS1LTA4HGRM8GRM6GRIN2D
SCHEMBL10425785 0.82 LTA4H (0.38) PRSS1LTA4HGRM8GRM6GRIN2D
SCHEMBL10703690 0.80 LTA4H (0.36) TMPRSS15PRSS1LTA4HGRM8GRM6
SCHEMBL6486889 0.76 CYP1A2 (0.47) LTA4HGRM8GRM6GRIN2DGRIN3B
SCHEMBL6486886 0.76 CYP1A2 (0.47) LTA4HGRM8GRM6GRIN2DGRIN3B
SCHEMBL29237379 0.76 PDE4B (0.46) LTA4HGRM8GRM6GRIN2DGRIN3B
SCHEMBL11469942 0.74 MAPK1 (0.43) PRSS1LTA4HGRM8GRM6GRM4
SCHEMBL10332951 0.74 MAPK1 (0.43) PRSS1LTA4HGRM8GRM6GRM4
SCHEMBL10388482 0.74 MAPK1 (0.43) PRSS1LTA4HGRM8GRM6GRM4

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
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed