SCHEMBL29286133

SCHEMBL29286133

COC1CN(C(=O)O)C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BTK Q06187 1/20 0.38
PDE4B Q07343 3/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM1A O60341 2/20 0.36
HSD11B1 P28845 2/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.35
MAOB P27338 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL20722717 1.00 CTSK (0.39) CTSKCA1CA2BTKPDE4B
SCHEMBL5132958 1.00 CTSK (0.39) CTSKCA1CA2BTKPDE4B
SCHEMBL20722571 0.90 CTSK (0.36) CTSKCA1CA2BTKPDE4B
SCHEMBL15805570 0.88 PDE4B (0.47) CTSKCA1CA2BTKPDE4B
SCHEMBL3548228 0.87 CTSK (0.42) CTSKCA1CA2BTKPDE4B
SCHEMBL28546354 0.87 CTSK (0.42) CTSKCA1CA2BTKPDE4B
SCHEMBL18956334 0.87 CTSK (0.42) CTSKCA1CA2BTKPDE4B
SCHEMBL3128871 0.87 CTSK (0.42) CTSKCA1CA2BTKPDE4B
SCHEMBL29187885 0.87 CTSK (0.42) CTSKCA1CA2BTKPDE4B
SCHEMBL18247419 0.87 CTSK (0.42) CTSKCA1CA2BTKPDE4B

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
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed