SCHEMBL8514529

SCHEMBL8514529

CC(C)CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)C.NC(=O)C1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 12/20 0.49
▸ XIAP P98170 9/20 0.46
▸ BIRC3 Q13489 3/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ MLX Q9UH92 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ ELANE P08246 1/20 0.39

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
SCHEMBL8514536 0.91 BIRC2 (0.50) BIRC2XIAPBIRC3CASP9MLX
SCHEMBL8514532 0.83 BIRC2 (0.60) BIRC2XIAPBIRC3CASP9
SCHEMBL3729230 0.82 ACE (0.47) BIRC2XIAPBIRC3MLXACE
SCHEMBL4562933 0.81 BIRC2 (0.56) BIRC2XIAPBIRC3CASP9
SCHEMBL3732909 0.77 ACE (0.52) BIRC2XIAPBIRC3ACEELANE
SCHEMBL13260002 0.76 XIAP (0.58) BIRC2XIAPBIRC3CASP9
SCHEMBL4315737 0.73 XIAP (0.70) BIRC2XIAPBIRC3CASP9
SCHEMBL30249738 0.73 XIAP (0.70) BIRC2XIAPBIRC3CASP9
SCHEMBL14421116 0.73 XIAP (0.70) BIRC2XIAPBIRC3CASP9
SCHEMBL14421200 0.73 XIAP (0.70) BIRC2XIAPBIRC3CASP9

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
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
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