SCHEMBL7800616

SCHEMBL7800616

CCCO[C@H]1CC(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1C(=O)NCC#N

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.62
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL1139345 1.00 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1139965 1.00 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL1139155 0.89 CTSS (0.66) CTSSCTSLCTSBCTSK
SCHEMBL1139633 0.89 CTSS (0.66) CTSSCTSLCTSBCTSK
SCHEMBL15678436 0.86 CTSS (0.61) CTSSCTSLCTSBCTSK
SCHEMBL1139327 0.86 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL1139134 0.86 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL3796987 0.85 CTSS (0.44) CTSSCTSLCTSBCTSK
SCHEMBL3797273 0.85 CTSS (0.44) CTSSCTSLCTSBCTSK
SCHEMBL15655030 0.79 CTSS (0.51) CTSSCTSLCTSBCTSK

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