SCHEMBL8514536

SCHEMBL8514536

CC(C)CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)C.NC1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 14/20 0.50
▸ XIAP P98170 11/20 0.47
▸ BIRC3 Q13489 5/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ MLX Q9UH92 1/20 0.44

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
SCHEMBL8514529 0.91 BIRC2 (0.49) BIRC2XIAPBIRC3CASP9MLX
SCHEMBL4562933 0.90 BIRC2 (0.56) BIRC2XIAPBIRC3CASP9
SCHEMBL8514532 0.85 BIRC2 (0.60) BIRC2XIAPBIRC3CASP9
SCHEMBL3729230 0.84 ACE (0.47) BIRC2XIAPBIRC3MLX
SCHEMBL3732909 0.78 ACE (0.52) BIRC2XIAPBIRC3
SCHEMBL13260002 0.77 XIAP (0.58) BIRC2XIAPBIRC3CASP9
SCHEMBL14421200 0.74 XIAP (0.70) BIRC2XIAPBIRC3CASP9
SCHEMBL4315737 0.74 XIAP (0.70) BIRC2XIAPBIRC3CASP9
SCHEMBL14421116 0.74 XIAP (0.70) BIRC2XIAPBIRC3CASP9
SCHEMBL30249738 0.74 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
Send feedback