SCHEMBL7809642

SCHEMBL7809642

NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.69
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.46
AKR1C3 P42330 1/20 0.42
WNT3 P56703 1/20 0.41
SFRP1 Q8N474 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7804457 0.84 CTSS (0.68) CTSSCTSLCTSBCTSKAKR1C3
SCHEMBL1139147 0.82 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL7798496 0.75 CTSS (0.55) CTSSCTSLCTSBCTSKMEN1
SCHEMBL3798016 0.74 CTSS (0.69) CTSSCTSLCTSBCTSKAKR1C3
SCHEMBL7806195 0.74 CTSS (0.49) CTSSCTSLCTSBCTSKMEN1
SCHEMBL7806295 0.74 CTSS (0.54) CTSSCTSLCTSBCTSKMEN1
SCHEMBL1139645 0.72 CTSS (0.68) CTSSCTSLCTSBCTSK
SCHEMBL3799114 0.72 CTSS (0.68) CTSSCTSLCTSBCTSK
SCHEMBL27868136 0.72 CTSS (0.68) CTSSCTSLCTSBCTSK
SCHEMBL1139151 0.72 CTSS (0.54) 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