SCHEMBL7807285

SCHEMBL7807285

NC1(NC(=O)[C@H]2CC[C@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.50
CTSL P07711 15/20 0.50
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7805843 1.00 CTSS (0.50) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1138974 0.88 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL1138853 0.88 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL1139649 0.88 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL1139016 0.88 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL7807911 0.85 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL3793817 0.85 CTSS (0.49) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL3796086 0.85 CTSS (0.49) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL3798567 0.85 CTSS (0.49) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL3802602 0.85 CTSS (0.49) CTSSCTSLCTSBCTSKALDH1A1

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