SCHEMBL8527225

SCHEMBL8527225

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.55
MAPK1 P28482 1/20 0.51
PSMB5 P28074 1/20 0.49
SCN9A Q15858 2/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
CCKAR P32238 1/20 0.46
CCKBR P32239 1/20 0.46
CAPN1 P07384 1/20 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
SCHEMBL8531003 0.94 REN (0.49) RENMAPK1PSMB5
SCHEMBL8527595 0.92 CTSS (0.51) RENMAPK1SCN9ACTSSCTSL
SCHEMBL8527394 0.87 ALDH1A1 (0.47) RENPSMB5CAPN1
SCHEMBL8529149 0.83 BACE1 (0.44) CAPN1
SCHEMBL31628521 0.79 SCN9A (0.65) RENSCN9ACTSSCTSLCTSB
SCHEMBL19341935 0.79 REN (0.71) RENMAPK1CTSSCTSLCTSB
SCHEMBL3499528 0.79 REN (0.71) RENMAPK1CTSSCTSLCTSB
SCHEMBL17629479 0.79 REN (0.71) RENMAPK1CTSSCTSLCTSB
SCHEMBL21244275 0.79 REN (0.71) RENMAPK1CTSSCTSLCTSB
SCHEMBL3824374 0.79 REN (0.71) RENMAPK1CTSSCTSLCTSB

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