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Sugi Predict / Compounds / SCHEMBL4253455

SCHEMBL4253455

SCHEMBL4253455

CC(C)C1COB(O)C1NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 7/20 0.33
▸ BIRC3 Q13489 3/20 0.31
▸ BIRC2 Q13490 6/20 0.30

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
SCHEMBL4253457 1.00 XIAP (0.33) XIAPBIRC3BIRC2
SCHEMBL8060885 0.83 XIAP (0.36) XIAPBIRC3
SCHEMBL8058789 0.79 BIRC2 (0.36) XIAPBIRC3BIRC2
SCHEMBL4407731 0.76 DPP8 (0.38) XIAPBIRC3BIRC2
SCHEMBL4407736 0.76 DPP8 (0.38) XIAPBIRC3BIRC2
SCHEMBL13594478 0.74 XIAP (0.34) XIAPBIRC3BIRC2
SCHEMBL13594474 0.74 XIAP (0.34) XIAPBIRC3BIRC2
SCHEMBL8236830 0.74 ELANE (0.36) XIAP
SCHEMBL4569722 0.73 ELANE (0.34) XIAPBIRC3BIRC2
SCHEMBL4259352 0.73 ELANE (0.34) XIAPBIRC3BIRC2

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