SCHEMBL6620714

SCHEMBL6620714

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.60
▸ CTSS P25774 5/20 0.60
▸ CTSL P07711 3/20 0.60
▸ CTSB P07858 1/20 0.60
▸ CAPN1 P07384 1/20 0.56
▸ CAPN2 P17655 1/20 0.56
▸ CA1 P00915 1/20 0.54
▸ CA5A P35218 1/20 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
SCHEMBL7468905 0.90 CTSK (0.53) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934709 0.88 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL4669748 0.86 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7163444 0.84 CA1 (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934832 0.84 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934902 0.84 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5935127 0.82 CTSK (0.77) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7165207 0.82 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL11361534 0.81 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7402633 0.81 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US claimed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — WO disclosed
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