SCHEMBL7398655

SCHEMBL7398655

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ BTK Q06187 1/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PLG P00747 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CTSK P43235 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CCR2 P41597 1/20 0.35

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
SCHEMBL4517509 0.87 GAA (0.51) GAABTKNFKB1NFKB2RELA
SCHEMBL4507930 0.83 GAA (0.47) GAANFKB1NFKB2RELAPLG
SCHEMBL23282460 0.82 GAA (0.55) GAABTKNFKB1NFKB2RELA
SCHEMBL22728463 0.82 GAA (0.55) GAABTKNFKB1NFKB2RELA
SCHEMBL8837694 0.77 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL22482787 0.77 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL22482790 0.77 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL8837689 0.77 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL4985702 0.77 GAA (0.52) GAANFKB1NFKB2RELAEPHX2
SCHEMBL29675327 0.77 GAA (0.52) GAABTKNFKB1NFKB2RELA

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-2000055156-A1 SUBSTITUTED AROMATIC AMIDINE DERIVATIVE AND MEDICINAL COMPOSITION COMPRISING THE SAME C & C RESEARCH LABORATORIES (KR) 2000-09-21 — — WO disclosed
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