SCHEMBL15095356

SCHEMBL15095356

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)NC1CCCc3ccccc31)CN2S(C)(=O)=O)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.62
CASP9 P55211 1/20 0.62
BIRC2 Q13490 18/20 0.56
BIRC3 Q13489 10/20 0.54

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
SCHEMBL2632187 1.00 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL2631842 1.00 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL2113544 1.00 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL2631856 0.90 XIAP (0.65) XIAPCASP9BIRC2BIRC3
SCHEMBL2114604 0.90 XIAP (0.65) XIAPCASP9BIRC2BIRC3
SCHEMBL2632160 0.89 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL2113355 0.89 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL13048223 0.89 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL2631837 0.89 XIAP (0.62) XIAPCASP9BIRC2BIRC3
SCHEMBL2632131 0.88 XIAP (0.63) XIAPCASP9BIRC2BIRC3

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-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed