SCHEMBL7235646

SCHEMBL7235646

COC(=O)[C@H]1C[C@@H](C(=O)O)[C@H](CO)[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.44
▸ CTSK P43235 3/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM1A O60341 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CPB1 P15086 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ CTSS P25774 1/20 0.31

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
SCHEMBL7235642 0.93 BTK (0.38) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7240916 0.92 BTK (0.48) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7238417 0.85 BTK (0.40) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7232674 0.81 BTK (0.37) BTKCTSKKMT2AGAAEPHX1
SCHEMBL7231122 0.80 BTK (0.40) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7238413 0.78 BTK (0.35) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7239017 0.76 BTK (0.44) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7234576 0.76 BTK (0.44) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7233863 0.74 BTK (0.32) BTKCTSKNFKB1NFKB2RELA
SCHEMBL7232668 0.74 TDP1 (0.39) BTKKMT2AMAOBGAAEPHX1

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
US-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 — — US disclosed
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