SCHEMBL13746451

SCHEMBL13746451

CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(C)=O)C[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 17/20 0.53
▸ BIRC2 Q13490 14/20 0.53
▸ BIRC3 Q13489 11/20 0.53

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
SCHEMBL13754047 0.93 XIAP (0.60) XIAPBIRC2BIRC3
SCHEMBL13164535 0.93 XIAP (0.60) XIAPBIRC2BIRC3
SCHEMBL13746523 0.92 XIAP (0.51) XIAPBIRC2BIRC3
SCHEMBL13746445 0.92 XIAP (0.50) XIAPBIRC2BIRC3
SCHEMBL13746641 0.91 XIAP (0.58) XIAPBIRC2BIRC3
SCHEMBL13184540 0.89 XIAP (0.53) XIAPBIRC2BIRC3
SCHEMBL13746517 0.88 BIRC2 (0.50) XIAPBIRC2BIRC3
SCHEMBL13164683 0.88 XIAP (0.52) XIAPBIRC2BIRC3
SCHEMBL13747108 0.87 BIRC2 (0.48) XIAPBIRC2BIRC3
SCHEMBL13747240 0.87 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
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
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