SCHEMBL8514532

SCHEMBL8514532

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 16/20 0.60
XIAP P98170 9/20 0.58
CASP9 P55211 1/20 0.58
BIRC3 Q13489 5/20 0.57

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
SCHEMBL4562933 0.95 BIRC2 (0.56) BIRC2XIAPCASP9BIRC3
SCHEMBL13260002 0.91 XIAP (0.58) BIRC2XIAPCASP9BIRC3
SCHEMBL30249738 0.90 XIAP (0.70) BIRC2XIAPCASP9BIRC3
SCHEMBL4315737 0.90 XIAP (0.70) BIRC2XIAPCASP9BIRC3
SCHEMBL14421116 0.90 XIAP (0.70) BIRC2XIAPCASP9BIRC3
SCHEMBL14421200 0.90 XIAP (0.70) BIRC2XIAPCASP9BIRC3
SCHEMBL13260011 0.88 XIAP (0.58) BIRC2XIAPCASP9BIRC3
SCHEMBL9609042 0.87 XIAP (0.58) BIRC2XIAPCASP9BIRC3
SCHEMBL3728566 0.86 XIAP (0.59) BIRC2XIAPCASP9BIRC3
SCHEMBL13260010 0.86 XIAP (0.59) BIRC2XIAPCASP9BIRC3

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