SCHEMBL13685694

SCHEMBL13685694

CC(C)COC(=O)N[C@H]1CCCCCC2(CC2)CC(C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN2 P17655 9/20 0.38
▸ TERF2 Q15554 5/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ REN P00797 2/20 0.33
▸ PSMB11 A5LHX3 1/20 0.32
▸ PSMA7 O14818 1/20 0.32
▸ CAPN1 P07384 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ PSMB1 P20618 1/20 0.32
▸ PSMA1 P25786 1/20 0.32
▸ PSMA2 P25787 1/20 0.32
▸ PSMA3 P25788 1/20 0.32
▸ PSMA4 P25789 1/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ PSMB9 P28065 1/20 0.32
▸ PSMA5 P28066 1/20 0.32
▸ PSMB4 P28070 1/20 0.32
▸ PSMB6 P28072 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ PSMB10 P40306 1/20 0.32

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
SCHEMBL13685653 0.93 CAPN2 (0.38) CAPN2TERF2PSMB11PSMA7CAPN1
SCHEMBL13686194 0.90 CAPN2 (0.34) CAPN2TERF2BACE1PSMB11PSMA7
SCHEMBL13685753 0.90 CAPN2 (0.34) CAPN2TERF2BACE1PSMB11PSMA7
SCHEMBL13685652 0.83 CAPN2 (0.34) CAPN2TERF2PSMB11PSMA7CAPN1
SCHEMBL13685735 0.81 TERF2 (0.37) TERF2
SCHEMBL13685734 0.79 TERF2 (0.32) TERF2
SCHEMBL13685681 0.74 TERF2 (0.34) TERF2
SCHEMBL13685689 0.73 TERF2 (0.34) TERF2
SCHEMBL13685695 0.72 TERF2 (0.41) TERF2
SCHEMBL13685773 0.72 TERF2 (0.33) TERF2

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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