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SCHEMBL13685681

SCHEMBL13685681

CC(C)COC(=O)N[C@H]1CC/C=C/CCCC(C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERF2 Q15554 11/20 0.34
▸ BIRC3 Q13489 4/20 0.33
▸ XIAP P98170 2/20 0.33
▸ BIRC2 Q13490 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
SCHEMBL13685682 0.94 TERF2 (0.36) TERF2BIRC3XIAPBIRC2
SCHEMBL13685734 0.91 TERF2 (0.32) TERF2BIRC3XIAPBIRC2
SCHEMBL13685689 0.91 TERF2 (0.34) TERF2BIRC3XIAPBIRC2
SCHEMBL13685695 0.87 TERF2 (0.41) TERF2BIRC3XIAPBIRC2
SCHEMBL13685773 0.85 TERF2 (0.33) TERF2BIRC3XIAPBIRC2
SCHEMBL13685680 0.85 TERF2 (0.43) TERF2BIRC3XIAPBIRC2
SCHEMBL13685613 0.85 TERF2 (0.34) TERF2BIRC3XIAPBIRC2
SCHEMBL13685777 0.81 HDAC6 (0.33) TERF2BIRC3XIAPBIRC2
SCHEMBL13685619 0.81 TERF2 (0.40) TERF2BIRC3XIAPBIRC2
SCHEMBL13685735 0.80 TERF2 (0.37) TERF2BIRC3XIAPBIRC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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