SCHEMBL16135486

SCHEMBL16135486

CO[C@@H]1OC2COC(C)(C)O[C@H]2C(O)C1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ YWHAZ P63104 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8435871 1.00 CA2 (0.36) CA2CA1CA9YWHAZMEN1
SCHEMBL7149962 0.88 MEN1 (0.40) CA2CA1CA9YWHAZMEN1
SCHEMBL7150055 0.88 MEN1 (0.40) CA2CA1CA9YWHAZMEN1
SCHEMBL14565283 0.88 MEN1 (0.40) CA2CA1CA9YWHAZMEN1
SCHEMBL3318804 0.88 MEN1 (0.40) CA2CA1CA9YWHAZMEN1
SCHEMBL20141974 0.88 MEN1 (0.40) CA2CA1CA9YWHAZMEN1
SCHEMBL7149494 0.86 MEN1 (0.45) CA2CA1CA9YWHAZMEN1
SCHEMBL7151335 0.86 MEN1 (0.45) CA2CA1CA9YWHAZMEN1
SCHEMBL7149476 0.86 MEN1 (0.45) CA2CA1CA9YWHAZMEN1
SCHEMBL10889700 0.86 MEN1 (0.45) CA2CA1CA9YWHAZMEN1

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-2369345-B1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri PASTEUR INSTITUT (FR) 2014-10-01 — — EP disclosed
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