SCHEMBL13784223

SCHEMBL13784223

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C(C)(F)F)cn2)CC1=O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.80
CTSL P07711 17/20 0.80
CTSS P25774 13/20 0.80
CTSB P07858 4/20 0.80
CTSV O60911 2/20 0.80

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
SCHEMBL6841396 0.95 CTSK (0.81) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784224 0.93 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL7258401 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL6841517 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL30218824 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL23856125 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL6215260 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL1587331 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL30218825 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
Relacatib SCHEMBL29394783 0.89 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV

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-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed