SCHEMBL4799729

SCHEMBL4799729

COC(=O)c1ccc(COC[C@@H](CN2c3ccccc3C[C@@H]2F)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.65
CTSL P07711 14/20 0.65
CTSK P43235 5/20 0.52

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
SCHEMBL4799709 1.00 CTSS (0.65) CTSSCTSLCTSK
SCHEMBL4799039 0.83 CTSS (0.89) CTSSCTSLCTSK
SCHEMBL4799030 0.83 CTSS (0.89) CTSSCTSLCTSK
SCHEMBL4799033 0.83 CTSS (0.89) CTSSCTSLCTSK
SCHEMBL6691378 0.76 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL4798600 0.76 CTSS (0.90) CTSSCTSLCTSK
SCHEMBL4798591 0.76 CTSS (0.90) CTSSCTSLCTSK
SCHEMBL4799505 0.73 CTSS (0.89) CTSSCTSLCTSK
SCHEMBL4799511 0.73 CTSS (0.89) CTSSCTSLCTSK
SCHEMBL4799131 0.71 CTSS (1.00) 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
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed