SCHEMBL2456071

SCHEMBL2456071

CO[C@H]1[C@@H]2OC(C)(C)OC[C@@H]2OC(S)[C@@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ADAM17 P78536 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
SCHEMBL7932128 0.83 ALDH1A1 (0.38) TSHR
SCHEMBL5460304 0.79 PKM (0.35) CA2CA1CA9TSHRMMP1
SCHEMBL402647 0.79 PKM (0.35) CA2CA1CA9TSHRMMP1
SCHEMBL402507 0.76 METAP2 (0.35) CA2CA1CA9MMP1MMP3
SCHEMBL13985297 0.75 CA2 (0.39) CA2CA1CA9TSHRMMP1
SCHEMBL13985292 0.75 CA2 (0.39) CA2CA1CA9TSHRMMP1
SCHEMBL4347782 0.72 CA2 (0.36) CA2CA1CA9
SCHEMBL7155167 0.72 LMNA (0.35) CA2CA1CA9TSHRMMP1
SCHEMBL2484327 0.71 CA2 (0.36) CA2CA1CA9TSHRMMP1
SCHEMBL14441192 0.70 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
EP-1773854-B1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI SA (FR) 2011-09-21 — — EP disclosed
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