SCHEMBL12856080

SCHEMBL12856080

CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](CC)C[C@H]2C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ NAAA Q02083 4/20 0.33
▸ BACE1 P56817 4/20 0.32
▸ PLG P00747 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31
▸ CTSD P07339 2/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL8291503 0.87 F2 (0.41) F2F10PRSS1GAAPLG
SCHEMBL13685100 0.80 F2 (0.33) F2F10PRSS1GAABACE1
SCHEMBL16349820 0.78 GAA (0.35) F2F10PRSS1GAANAAA
SCHEMBL13685693 0.77 F2 (0.37) F2F10PRSS1GAANAAA
SCHEMBL16349612 0.77 CASP3 (0.41) BACE1
SCHEMBL13685703 0.76 CASP3 (0.40) BACE1
SCHEMBL16349811 0.75 F2 (0.42) F2F10PRSS1GAA
SCHEMBL12856082 0.74 CTSD (0.33) F2F10PRSS1GAABACE1
SCHEMBL8290545 0.74 CTSD (0.33) F2F10PRSS1GAABACE1
SCHEMBL8289304 0.74 F2 (0.32) F2F10PRSS1GAABACE1

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
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 — — EP disclosed
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