Sugi Predict

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SCHEMBL9114887

SCHEMBL9114887

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 7/20 0.44
▸ NFKB2 Q00653 7/20 0.44
▸ RELA Q04206 7/20 0.44
▸ GAA P10253 1/20 0.42
▸ KDM1A O60341 2/20 0.40
▸ BTK Q06187 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CTSK P43235 2/20 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
SCHEMBL9114891 1.00 NFKB1 (0.44) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL9114899 1.00 NFKB1 (0.44) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL1988919 0.87 NFKB1 (0.54) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL1014172 0.86 BTK (0.48) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL16976712 0.85 NFKB1 (0.50) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL14239951 0.83 NFKB1 (0.40) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL1030042 0.83 NFKB1 (0.40) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL12631404 0.82 BTK (0.45) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL22475369 0.80 NFKB1 (0.49) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL15054559 0.80 MAPK1 (0.40) NFKB1NFKB2RELAGAA

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-1995007022-A1 FUNGICIDES ZENECA LIMITED (GB) 1995-03-16 — — WO disclosed