SCHEMBL9328985

SCHEMBL9328985

CCN1CCN(C(=O)N[C@H](C=O)[C@@H](C)O)C(=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ SLC22A6 Q4U2R8 1/20 0.30
▸ SLC22A8 Q8TCC7 1/20 0.30
▸ SLC22A11 Q9NSA0 1/20 0.30

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
SCHEMBL10403348 1.00 GAA (0.37) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL10403866 0.88 GAA (0.36) GAAL3MBTL1POLBSMN1; SMN2
SCHEMBL9659481 0.85 GAA (0.40) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL10361567 0.85 GAA (0.40) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL13953294 0.83 GAA (0.40) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL14849507 0.82 GAA (0.40) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL14866125 0.81 GAA (0.47) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL18634217 0.81 GAA (0.39) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL11363578 0.80 GAA (0.38) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL3737134 0.80 GAA (0.38) GAAL3MBTL1POLBSMN1; SMN2HDAC1

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 10 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
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-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 — — EP disclosed
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