SCHEMBL12601475

SCHEMBL12601475

CCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)C(=O)NCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ CASP10 Q92851 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSF Q9UBX1 1/20 0.38
▸ GRB2 P62993 1/20 0.38
▸ F2 P00734 1/20 0.38

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
SCHEMBL8250731 0.90 ELANE (0.36) ELANECASP1CASP4CASP5CASP7
SCHEMBL8249374 0.88 DPP4 (0.41) ELANECTSKGRB2F2
SCHEMBL8246714 0.85 ELANE (0.37) ELANECASP1CASP4CASP5CASP7
SCHEMBL8282156 0.83 ELANE (0.36) ELANECASP1CASP4CASP5CASP7
SCHEMBL8247400 0.82 DPP4 (0.41) CTSKGRB2F2
SCHEMBL8249934 0.82 NPSR1 (0.43) CTSKGRB2F2
SCHEMBL8249903 0.78 CASP1 (0.35) ELANECASP1CASP4CASP5CASP7
SCHEMBL8253477 0.78 DPP4 (0.38) CTSKGRB2F2
SCHEMBL8247918 0.78 DPP4 (0.38) CTSKGRB2F2
SCHEMBL8247468 0.78 ELANE (0.43) ELANECASP1CASP4CASP5CASP7

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-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 — — EP disclosed
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