SCHEMBL7804457

SCHEMBL7804457

NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.68
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.48
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.40
ELOVL6 Q9H5J4 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL3798016 0.90 CTSS (0.69) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7809642 0.84 CTSS (0.69) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL1139545 0.81 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL1139058 0.80 CTSS (0.77) CTSSCTSLCTSBCTSK
SCHEMBL4740683 0.78 CTSS (0.55) CTSSKMT2AHTTAKR1C3
SCHEMBL7798496 0.77 CTSS (0.55) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7806195 0.76 CTSS (0.49) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7806295 0.76 CTSS (0.54) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL1139645 0.74 CTSS (0.68) CTSSCTSLCTSBCTSKHTT
SCHEMBL3799114 0.74 CTSS (0.68) CTSSCTSLCTSBCTSKHTT

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