SCHEMBL13985292

SCHEMBL13985292

CC(=O)OC1C(N)[C@H](O)OC2COC(C)(C)O[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ TSHR P16473 1/20 0.35
▸ MMP1 P03956 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ CA12 O43570 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
SCHEMBL13985297 0.86 CA2 (0.39) CA2CA1CA9TSHRMMP1
SCHEMBL2484327 0.82 CA2 (0.36) CA2CA1CA9TSHRMMP1
SCHEMBL13985216 0.78 CA2 (0.36) CA2CA1CA9
SCHEMBL10482457 0.78 CA2 (0.36) CA2CA1CA9
SCHEMBL2456071 0.75 CA2 (0.36) CA2CA1CA9TSHRMMP1
SCHEMBL7155167 0.73 LMNA (0.35) CA2CA1CA9TSHRMMP1
SCHEMBL13365650 0.73 CA1 (0.37) CA2CA1CA9
SCHEMBL16307847 0.71 CA2 (0.64) CA2CA1CA9MMP1MMP3
SCHEMBL10883648 0.71 CA2 (0.64) CA2CA1CA9MMP1MMP3
SCHEMBL14441192 0.71 CA2 (0.64) CA2CA1CA9MMP1MMP3

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
WO-2008155487-A2 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X INSTITUT PASTEUR (FR) 2008-12-24 — — WO disclosed
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