SCHEMBL9329038

SCHEMBL9329038

N[C@H](CCC(=O)Oc1ccc(/C([C]=O)=N/O)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.38
KMT2A Q03164 5/20 0.36
CYP1A2 P05177 2/20 0.35
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
GRM4 Q14833 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GSR P00390 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
SCHEMBL8126091 1.00 LTA4H (0.38) LTA4HKMT2ACYP1A2GRM8GRM6
SCHEMBL10703690 0.82 LTA4H (0.36) LTA4HCYP1A2GRM8GRM6GRM4
SCHEMBL8311458 0.82 MAPK1 (0.43) LTA4HGRM8GRM6GRM4ALDH1A1
SCHEMBL9329467 0.82 MAPK1 (0.43) LTA4HGRM8GRM6GRM4ALDH1A1
SCHEMBL2266753 0.81 GRM6 (0.46) LTA4HKMT2ACYP1A2GRM8GRM6
SCHEMBL2266748 0.81 GRM6 (0.46) LTA4HKMT2ACYP1A2GRM8GRM6
SCHEMBL10425785 0.80 LTA4H (0.38) LTA4HKMT2ACYP1A2GRM8GRM6
SCHEMBL10333334 0.80 LTA4H (0.38) LTA4HKMT2ACYP1A2GRM8GRM6
SCHEMBL18172341 0.76 KMT2A (0.50) LTA4HKMT2AALDH1A1LMNAMAPT
SCHEMBL1810781 0.76 LTA4H (0.55) LTA4HKMT2ACYP1A2GRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed