SCHEMBL13685773

SCHEMBL13685773

CC(C)COC(=O)N[C@H]1CC/C=C/CC2(CC2)CC(C(=O)C(=O)NCC(=O)N[C@H](C(=O)O)c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TERF2 Q15554 6/20 0.33
▸ BIRC3 Q13489 5/20 0.32
▸ XIAP P98170 2/20 0.32
▸ BIRC2 Q13490 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NTSR1 P30989 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 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
SCHEMBL13685734 0.94 TERF2 (0.32) TERF2BIRC3XIAPBIRC2
SCHEMBL13685735 0.91 TERF2 (0.37) TERF2BIRC3XIAPBIRC2ELANE
SCHEMBL13685682 0.91 TERF2 (0.36) TERF2BIRC3XIAPBIRC2ELANE
SCHEMBL13685695 0.87 TERF2 (0.41) TERF2BIRC3XIAPBIRC2ELANE
SCHEMBL13685652 0.86 CAPN2 (0.34) TERF2ELANEATMMEN1KMT2A
SCHEMBL13685681 0.85 TERF2 (0.34) TERF2BIRC3XIAPBIRC2
SCHEMBL13686194 0.81 CAPN2 (0.34) TERF2
SCHEMBL13685753 0.81 CAPN2 (0.34) TERF2
SCHEMBL13685680 0.81 TERF2 (0.43) TERF2BIRC3XIAPBIRC2
SCHEMBL13685689 0.78 TERF2 (0.34) 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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