SCHEMBL24613844

SCHEMBL24613844

CC(C)(C)OC(=O)N[C@@H]1CNCC12COC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ EPHX2 P34913 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ NFKB1 P19838 4/20 0.36
▸ NFKB2 Q00653 4/20 0.36
▸ RELA Q04206 4/20 0.36
▸ BTK Q06187 1/20 0.35
▸ CTSK P43235 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX1 P07099 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
SCHEMBL14690682 1.00 GAA (0.47) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL21685905 0.91 GAA (0.42) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL12276525 0.88 SSTR4 (0.46) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL2738139 0.88 SSTR4 (0.46) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL3186912 0.88 SSTR4 (0.46) GAAEPHX2SSTR4NFKB1NFKB2
Hydrochloric Acid SCHEMBL31251117 0.87 SSTR4 (0.45) GAAEPHX2SSTR4NFKB1NFKB2
Hydrochloric Acid SCHEMBL31339734 0.87 SSTR4 (0.45) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL3185928 0.85 SSTR4 (0.41) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL12492874 0.85 SSTR4 (0.41) GAAEPHX2SSTR4NFKB1NFKB2
SCHEMBL31250464 0.81 GAA (0.41) GAAEPHX2NFKB1NFKB2RELA

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-4026830-A1 PROTEASE INHIBITORS, PREPARATION, AND USES THEREOF Westlake University (CN) 2022-07-13 — — EP disclosed
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