SCHEMBL8531003

SCHEMBL8531003

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1CCC(=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
PSEN1 P49768 5/20 0.49
PSEN2 P49810 5/20 0.49
APH1B Q8WW43 5/20 0.49
NCSTN Q92542 5/20 0.49
APH1A Q96BI3 5/20 0.49
PSENEN Q9NZ42 5/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
CTSD P07339 3/20 0.46
MAPK1 P28482 1/20 0.46
PSMB5 P28074 1/20 0.45
BACE1 P56817 2/20 0.45

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
SCHEMBL8527225 0.94 REN (0.55) RENMAPK1PSMB5
SCHEMBL8529149 0.88 BACE1 (0.44) CTSDBACE1
SCHEMBL8527595 0.86 CTSS (0.51) RENKMT2AMAPK1
SCHEMBL8527394 0.84 ALDH1A1 (0.47) RENPSMB5
SCHEMBL8530799 0.81 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8530164 0.78 PSEN1 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8530092 0.76 CTSS (0.72) REN
SCHEMBL8528279 0.76 PSEN1 (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL13388507 0.76 REN (0.64) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8132515 0.76 PSMB5 (0.60) RENPSEN1PSEN2APH1BNCSTN

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-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