SCHEMBL25472338

SCHEMBL25472338

CC[C@H](NC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 19/20 0.53
▸ BIRC2 Q13490 14/20 0.53
▸ BIRC3 Q13489 5/20 0.45

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
SCHEMBL25472337 0.84 XIAP (0.52) XIAPBIRC2BIRC3
SCHEMBL21376365 0.78 XIAP (0.53) XIAPBIRC2BIRC3
SCHEMBL25469540 0.72 XIAP (0.59) XIAPBIRC2BIRC3
SCHEMBL803487 0.71 TRPV1 (0.49) XIAP
SCHEMBL14452760 0.71 TRPV1 (0.49) XIAP
SCHEMBL599782 0.71 TRPV1 (0.49) XIAP
SCHEMBL14277888 0.71 TRPV1 (0.49) XIAP
SCHEMBL4226634 0.70 TRPV1 (0.54) XIAP
SCHEMBL4226632 0.70 TRPV1 (0.54) XIAP
SCHEMBL26962614 0.69 TRPV1 (0.50) XIAP

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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