SCHEMBL9686944

SCHEMBL9686944

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MME P08473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ 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
SCHEMBL10752034 1.00 GAA (0.38) GAAL3MBTL1POLBMEN1KMT2A
SCHEMBL11363578 1.00 GAA (0.38) GAAL3MBTL1POLBMEN1KMT2A
SCHEMBL8127072 0.89 GAA (0.38) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL3737134 0.89 GAA (0.38) GAAL3MBTL1POLBSMN1; SMN2HDAC1
SCHEMBL3737136 0.88 GAA (0.37) GAAL3MBTL1POLBSMN1; SMN2CA2
SCHEMBL10759442 0.87 SMN1; SMN2 (0.33) GAAMEN1KMT2AMMESMN1; SMN2
SCHEMBL10759449 0.87 SMN1; SMN2 (0.33) GAAMEN1KMT2AMMESMN1; SMN2
SCHEMBL9972674 0.86 GAA (0.36) GAAL3MBTL1POLBSMN1; SMN2
SCHEMBL11388898 0.86 GAA (0.36) GAAL3MBTL1POLBMEN1KMT2A
SCHEMBL11388894 0.86 GAA (0.36) GAAL3MBTL1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191989-B1 ANTIBIOTIC ISOXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 — — EP disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 — — US disclosed
US-4684641-A BACTERICIDES PFIZER INC. (US) 1987-08-04 — — US disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 — — EP disclosed
EP-0168177-A2 Cephalosporin antibiotics Pfizer Limited (GB) 1986-01-15 — — EP disclosed
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