SCHEMBL8041801

SCHEMBL8041801

CCS(=O)(=O)N(C)C[C@@H](NCl)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 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
SCHEMBL13272865 0.83 MMP1 (0.30)
SCHEMBL8280382 0.83 PER2 (0.33)
SCHEMBL12856121 0.81 MMP1 (0.30)
SCHEMBL8281119 0.81 CCR6 (0.31) CCR6
SCHEMBL13251292 0.80 MMP1 (0.34)
SCHEMBL13686202 0.75 MMP1 (0.32)
SCHEMBL13684406 0.74 MMP1 (0.36)
SCHEMBL8051304 0.73 CA1 (0.43)
SCHEMBL13272746 0.73 GAA (0.36)
SCHEMBL8036824 0.71

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
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 WO disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 WO disclosed