SCHEMBL7811039

SCHEMBL7811039

COc1ccc(S(=O)(=O)C2C[C@H](OC)[C@@H](C(=O)NC3(C#N)CC3)C2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.57
CTSL P07711 15/20 0.57
CTSK P43235 2/20 0.57
CTSB P07858 4/20 0.49

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
SCHEMBL1139096 1.00 CTSS (0.57) CTSSCTSLCTSKCTSB
SCHEMBL1139217 1.00 CTSS (0.57) CTSSCTSLCTSKCTSB
SCHEMBL7808031 0.91 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL1139017 0.91 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL1139505 0.91 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL1139860 0.91 CTSS (0.50) CTSSCTSLCTSKCTSB
SCHEMBL1139074 0.91 CTSS (0.50) CTSSCTSLCTSKCTSB
SCHEMBL15678490 0.90 CTSS (0.49) CTSSCTSLCTSKCTSB
SCHEMBL1139623 0.89 CTSS (0.57) CTSSCTSLCTSKCTSB
SCHEMBL1139515 0.89 CTSS (0.57) CTSSCTSLCTSKCTSB

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-2010142650-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed