SCHEMBL806061

SCHEMBL806061

CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.45
CMA1 P23946 9/20 0.43
XIAP P98170 1/20 0.42
BIRC3 Q13489 1/20 0.42
BIRC2 Q13490 1/20 0.42
KLK5 Q9Y337 1/20 0.41
ACE P12821 1/20 0.40

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
SCHEMBL5995965 0.90 ELANE (0.46) ELANEXIAPBIRC3BIRC2
SCHEMBL12403760 0.90 ELANE (0.46) ELANEXIAPBIRC3BIRC2
SCHEMBL806133 0.88 ACE (0.51) ELANECMA1ACE
SCHEMBL159043 0.88 ACE (0.51) ELANECMA1ACE
SCHEMBL26121717 0.88 ACE (0.51) ELANECMA1ACE
SCHEMBL15727162 0.88 CMA1 (0.47) ELANECMA1KLK5ACE
SCHEMBL1300341 0.88 ACE (0.51) ELANECMA1ACE
SCHEMBL24441416 0.87 CMA1 (0.54) ELANECMA1
SCHEMBL14232792 0.86 ELANE (0.42) ELANECMA1KLK5ACE
SCHEMBL806180 0.86 ELANE (0.42) ELANECMA1KLK5ACE

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
WO-2012037259-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-22 WO disclosed