SCHEMBL4259361

SCHEMBL4259361

CCC1CCCOB[C@H]1N(O)C(=O)C1CC(OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.33
BIRC3 Q13489 9/20 0.33
BIRC2 Q13490 9/20 0.33
ELANE P08246 2/20 0.33

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
SCHEMBL4569723 1.00 XIAP (0.33) XIAPBIRC3BIRC2ELANE
SCHEMBL4569722 0.82 ELANE (0.34) XIAPBIRC3BIRC2ELANE
SCHEMBL4259352 0.82 ELANE (0.34) XIAPBIRC3BIRC2ELANE
SCHEMBL8060002 0.81 ELANE (0.39) ELANE
SCHEMBL4259244 0.81 ELANE (0.37) BIRC2ELANE
SCHEMBL8062027 0.79 BIRC2 (0.36) XIAPBIRC3BIRC2ELANE
SCHEMBL3372356 0.77
SCHEMBL3370425 0.76
SCHEMBL8045867 0.73 BIRC2 (0.39) XIAPBIRC3BIRC2ELANE
SCHEMBL8038455 0.73 ELANE (0.48) XIAPBIRC2ELANE

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