SCHEMBL13784229

SCHEMBL13784229

CCCN1CC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)CC[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.55
CTSL P07711 16/20 0.55
CTSS P25774 16/20 0.55
CTSB P07858 4/20 0.55
CTSV O60911 2/20 0.55

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
SCHEMBL13784230 0.89 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784227 0.85 CTSK (0.67) CTSKCTSLCTSS
SCHEMBL6215911 0.82 CTSK (0.81) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784228 0.79 CTSS (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784233 0.77 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317293 0.76 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317277 0.76 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14040700 0.76 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131372 0.76 CTSK (0.82) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784231 0.76 CTSK (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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