SCHEMBL4259244

SCHEMBL4259244

COC(=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 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
BIRC2 Q13490 1/20 0.35

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
SCHEMBL8060002 0.93 ELANE (0.39) ELANE
SCHEMBL8038460 0.91 ELANE (0.46) ELANEBIRC2
SCHEMBL3370425 0.86
SCHEMBL3372356 0.86
SCHEMBL8062027 0.85 BIRC2 (0.36) ELANEBIRC2
SCHEMBL13757913 0.85
SCHEMBL3375616 0.85
SCHEMBL8038455 0.83 ELANE (0.48) ELANEBIRC2
SCHEMBL13757912 0.83 CTSB (0.50)
SCHEMBL3371445 0.83 CTSB (0.50)

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