SCHEMBL16349811

SCHEMBL16349811

CC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ GAA P10253 1/20 0.39
▸ TERF2 Q15554 3/20 0.37
▸ XIAP P98170 2/20 0.37
▸ BIRC3 Q13489 2/20 0.37
▸ BIRC2 Q13490 2/20 0.37
▸ HDAC4 P56524 8/20 0.37
▸ HDAC1 Q13547 8/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.36

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
SCHEMBL8291443 0.93 F2 (0.43) F2F10PRSS1GAATERF2
SCHEMBL8291503 0.88 F2 (0.41) F2F10PRSS1GAATERF2
SCHEMBL16349820 0.85 GAA (0.35) F2F10PRSS1GAA
SCHEMBL1655875 0.82 BIRC3 (0.38) F2F10PRSS1GAATERF2
SCHEMBL16349581 0.81 GAA (0.35) F2F10PRSS1GAA
SCHEMBL16349734 0.81 GAA (0.35) F2F10PRSS1GAA
SCHEMBL16315715 0.81 GAA (0.35) F2F10PRSS1GAA
SCHEMBL8290665 0.79 GAA (0.42) GAATERF2HDAC4HDAC1
SCHEMBL13685693 0.79 F2 (0.37) F2F10PRSS1GAA
SCHEMBL8249283 0.79 TERF2 (0.35) F2F10PRSS1TERF2XIAP

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