SCHEMBL8335497

SCHEMBL8335497

O=C(N[C@@H](CC1CCCC1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.62
CTSL P07711 16/20 0.62
CTSS P25774 16/20 0.62
CTSB P07858 3/20 0.47
CTSV O60911 1/20 0.45

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
SCHEMBL6221912 1.00 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7484769 0.90 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6843805 0.87 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14040696 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131845 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8337747 0.85 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6072824 0.85 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096565 0.82 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096561 0.82 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5983128 0.82 CTSK (0.40) 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
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed