SCHEMBL6685693

SCHEMBL6685693

COCCC(=O)NC(CC1CCCCC1)C(=O)N[C@@H](C)CNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.70
CTSL P07711 17/20 0.70
CTSK P43235 13/20 0.70

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
SCHEMBL4796365 1.00 CTSS (0.70) CTSSCTSLCTSK
SCHEMBL4796369 1.00 CTSS (0.70) CTSSCTSLCTSK
SCHEMBL4798263 0.91 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL6688335 0.91 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL4798258 0.91 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL6685701 0.87 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL4800065 0.82 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL4800085 0.82 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL4800071 0.82 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL4800569 0.81 CTSS (0.70) CTSSCTSLCTSK

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed