SCHEMBL7518972

SCHEMBL7518972

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(O)C(=NS(=O)(=O)c1ccccc1OCc1ccccc1)N(CC(O)CNC(=O)[C@@H](N)CC(C)C)S(=O)(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.38
▸ REN P00797 5/20 0.38
▸ CTSS P25774 6/20 0.38
▸ PSMB5 P28074 1/20 0.37
▸ CTSL P07711 3/20 0.37
▸ CTSB P07858 3/20 0.37
▸ CA5A P35218 1/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36

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
SCHEMBL7163407 0.77 CTSK (0.47) CTSKRENCTSSCTSLCTSB
SCHEMBL7412248 0.76 CTSK (0.44) CTSKRENCTSSCTSLCTSB
SCHEMBL7565916 0.73 CTSK (0.38) CTSKRENCTSSCTSLCA5A
SCHEMBL7160715 0.71 LARS1 (0.44) CTSK
SCHEMBL7610538 0.69 CTSK (0.56) CTSKCTSSCTSLCTSBCA5A
SCHEMBL27555854 0.69 CTSK (0.56) CTSKCTSSCTSLCTSBCA5A
SCHEMBL7467714 0.69 CTSK (0.46) CTSKRENCTSSPSMB5CTSL
SCHEMBL8418512 0.67 REN (0.65) CTSKRENCTSSCTSLCTSB
SCHEMBL21885556 0.65 CTSK (0.63) CTSKRENCTSSCTSLCTSB
SCHEMBL18154376 0.65 CTSK (0.63) CTSKRENCTSSCTSLCTSB

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
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 — — WO disclosed
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