SCHEMBL31725835

SCHEMBL31725835

CC(C)(C)OC(=O)N1CC(C)(C)c2ncc(O)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
ESR2 Q92731 1/20 0.34
KDM1A O60341 1/20 0.33
XIAP P98170 6/20 0.33
BIRC2 Q13490 6/20 0.33
GPR119 Q8TDV5 5/20 0.32
CYP11B2 P19099 1/20 0.32
BUB1 O43683 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL25738272 0.87 NR1H2 (0.39) NR1H2KDM1AXIAPBIRC2GPR119
SCHEMBL29713511 0.86 NR1H2 (0.39) NR1H2KDM1AXIAPBIRC2
SCHEMBL15649736 0.86 NR1H2 (0.39) NR1H2KDM1AXIAPBIRC2
SCHEMBL13732154 0.86 NR1H2 (0.39) NR1H2KDM1AXIAPBIRC2CYP11B2
SCHEMBL13733056 0.85 NR1H2 (0.38) NR1H2KDM1AXIAPBIRC2GPR119
SCHEMBL31700413 0.85 NR1H2 (0.38) NR1H2KDM1AXIAPBIRC2GPR119
SCHEMBL31368981 0.85 NR1H2 (0.38) NR1H2KDM1AXIAPBIRC2GPR119
SCHEMBL13732881 0.84 XIAP (0.45) NR1H2XIAPBIRC2
SCHEMBL13732818 0.82 NR1H2 (0.36) NR1H2KDM1AXIAPBIRC2USP30
SCHEMBL31725773 0.81 USP30 (0.45) NR1H2XIAPBIRC2USP30

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-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 WO disclosed