SCHEMBL25469540

SCHEMBL25469540

CC[C@H](NC)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCOc4ccccc43)N2C1=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 18/20 0.59
▸ BIRC2 Q13490 9/20 0.45
▸ BIRC3 Q13489 2/20 0.41

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
SCHEMBL25469539 0.90 XIAP (0.56) XIAPBIRC2BIRC3
SCHEMBL25468889 0.90 XIAP (0.56) XIAPBIRC2BIRC3
SCHEMBL23978873 0.90 XIAP (0.73) XIAPBIRC2BIRC3
SCHEMBL26269630 0.90 XIAP (0.73) XIAPBIRC2BIRC3
Hydrochloric Acid SCHEMBL25401745 0.89 XIAP (0.72) XIAPBIRC2BIRC3
Hydrochloric Acid SCHEMBL25401739 0.89 XIAP (0.72) XIAPBIRC2BIRC3
Hydrochloric Acid SCHEMBL25401742 0.89 XIAP (0.72) XIAPBIRC2BIRC3
SCHEMBL25468867 0.87 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL25470443 0.87 XIAP (0.49) XIAPBIRC2BIRC3
Hydrochloric Acid SCHEMBL25167070 0.86 XIAP (0.48) XIAPBIRC2BIRC3

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-2023081290-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-11 — — WO disclosed
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