SCHEMBL4259352

SCHEMBL4259352

CCC1CCCOB(O)[C@H]1NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
BIRC2 Q13490 8/20 0.34
XIAP P98170 8/20 0.34
BIRC3 Q13489 7/20 0.34

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
SCHEMBL4569722 1.00 ELANE (0.34) ELANEBIRC2XIAPBIRC3
SCHEMBL8062027 0.92 BIRC2 (0.36) ELANEBIRC2XIAPBIRC3
SCHEMBL8058789 0.83 BIRC2 (0.36) ELANEBIRC2XIAPBIRC3
SCHEMBL8045867 0.82 BIRC2 (0.39) ELANEBIRC2XIAPBIRC3
SCHEMBL8060002 0.82 ELANE (0.39) ELANE
SCHEMBL4259361 0.82 XIAP (0.33) ELANEBIRC2XIAPBIRC3
SCHEMBL4569723 0.82 XIAP (0.33) ELANEBIRC2XIAPBIRC3
SCHEMBL4259244 0.81 ELANE (0.37) ELANEBIRC2
SCHEMBL8056938 0.81 VHL (0.33) ELANE
SCHEMBL8062117 0.80 ELANE (0.32) ELANEBIRC2

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
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO disclosed