SCHEMBL8528279

SCHEMBL8528279

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.57
PSEN2 P49810 7/20 0.57
APH1B Q8WW43 7/20 0.57
NCSTN Q92542 7/20 0.57
APH1A Q96BI3 7/20 0.57
PSENEN Q9NZ42 7/20 0.57
REN P00797 5/20 0.56
CTSD P07339 3/20 0.53
BACE1 P56817 3/20 0.52
CTSL P07711 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL5048302 0.92 REN (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8526673 0.92 REN (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11199973 0.92 CTSS (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8530799 0.88 REN (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8529162 0.86 CTSL (0.55) CTSLCTSK
SCHEMBL11210637 0.85 CTSS (0.54) CTSLCTSK
SCHEMBL8530092 0.85 CTSS (0.72) RENCTSLCTSK
SCHEMBL8530164 0.84 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3498556 0.83 CTSS (0.64) RENCTSLCTSK
SCHEMBL5050550 0.83 CTSS (0.69) RENCTSLCTSK

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-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US claimed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP claimed
US-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5514778-A ENZYME INHIBITORS OF PROTEOLYTIC ENZYMES FOR RHINOVIRUSES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP disclosed