SCHEMBL9611973

SCHEMBL9611973

CN[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CS(=O)(=O)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 16/20 0.51
BIRC2 Q13490 9/20 0.48
BIRC3 Q13489 7/20 0.48
CASP9 P55211 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
SCHEMBL9608937 0.84 XIAP (0.56) XIAPBIRC2BIRC3CASP9
SCHEMBL13260047 0.76 XIAP (0.43) XIAPBIRC2BIRC3CASP9
SCHEMBL3726188 0.72 XIAP (0.40) XIAPBIRC2BIRC3CASP9
SCHEMBL22623336 0.70 XIAP (0.63) XIAPBIRC2BIRC3CASP9
SCHEMBL27310566 0.70 XIAP (0.63) XIAPBIRC2BIRC3CASP9
SCHEMBL23812570 0.69 BIRC2 (0.81) XIAPBIRC2BIRC3
SCHEMBL23806096 0.69 BIRC2 (0.81) XIAPBIRC2BIRC3
SCHEMBL9608965 0.68 XIAP (0.55) XIAPBIRC2BIRC3CASP9
SCHEMBL14421200 0.68 XIAP (0.70) XIAPBIRC2BIRC3CASP9
SCHEMBL4315737 0.68 XIAP (0.70) XIAPBIRC2BIRC3CASP9

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