SCHEMBL7231122

SCHEMBL7231122

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.40
▸ KMT2A Q03164 2/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CTSK P43235 3/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ CTSS P25774 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ MAOB P27338 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
SCHEMBL7238417 0.95 BTK (0.40) BTKKMT2AEPHX1L3MBTL1CTSK
SCHEMBL7238413 0.94 BTK (0.35) BTKKMT2AEPHX1L3MBTL1CTSK
SCHEMBL7239017 0.93 BTK (0.44) BTKKMT2AEPHX1L3MBTL1CTSK
SCHEMBL7231875 0.88 BTK (0.40) BTKKMT2AEPHX1L3MBTL1CTSK
SCHEMBL7233863 0.87 BTK (0.32) BTKEPHX1CTSKKDM1ANFKB1
SCHEMBL7230862 0.86 BTK (0.37) BTKKMT2AEPHX1CTSKCTSS
SCHEMBL7230514 0.86 BTK (0.37) BTKKMT2AEPHX1CTSKCTSS
SCHEMBL7230501 0.83 EPHX1 (0.36) BTKKMT2AEPHX1MAOB
SCHEMBL7231707 0.80 — —
SCHEMBL7235646 0.80 BTK (0.44) BTKKMT2AEPHX1L3MBTL1CTSK

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