SCHEMBL7409698

SCHEMBL7409698

C[C@@H](C(=O)N[C@H](C=CS(=O)(=O)c1ccc2ccccc2c1)CCc1ccccc1)N(C(=O)OC(C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.47
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
CTSH P09668 2/20 0.47
CTSC P53634 2/20 0.47
CTSL P07711 7/20 0.46

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
SCHEMBL7409689 1.00 CTSB (0.47) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7409697 1.00 CTSB (0.47) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7409691 1.00 CTSB (0.47) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7353515 0.96 CTSB (0.52) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7353525 0.96 CTSB (0.52) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7353529 0.96 CTSB (0.52) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7353520 0.96 CTSB (0.52) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7362205 0.83 CTSL (0.57) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7362208 0.83 CTSL (0.57) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7413210 0.83 CTSL (0.57) CTSBCTSKCTSSCTSHCTSC

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