SCHEMBL7411052

SCHEMBL7411052

O=C(O)CCC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.69
CTSL P07711 7/20 0.65
CTSB P07858 6/20 0.61
CTSK P43235 2/20 0.50
CTSH P09668 1/20 0.50
CTSC P53634 1/20 0.50

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
SCHEMBL7411039 1.00 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7411037 1.00 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
Hydrochloric Acid SCHEMBL7405419 0.88 CTSS (0.67) CTSSCTSLCTSBCTSKCTSH
Hydrochloric Acid SCHEMBL7405413 0.88 CTSS (0.67) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7379870 0.85 CTSS (0.64) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7414175 0.85 CTSL (0.67) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7414172 0.85 CTSL (0.67) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7379872 0.85 CTSS (0.64) CTSSCTSLCTSBCTSKCTSH
SCHEMBL8691950 0.84 CTSS (0.64) CTSSCTSLCTSBCTSKCTSH
SCHEMBL8691954 0.84 CTSS (0.64) CTSSCTSLCTSBCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed