SCHEMBL8527574

SCHEMBL8527574

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

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.65
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
CCKBR P32239 1/20 0.50

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
SCHEMBL8584067 0.94 REN (0.58) REN
SCHEMBL8526669 0.93 CTSS (0.57) RENCTSSCTSLCTSBCTSK
SCHEMBL30091422 0.90 REN (0.62) RENCTSSCTSLCTSBCTSK
SCHEMBL19559785 0.87 REN (0.67) RENCTSSCTSLCTSBCTSK
SCHEMBL8529180 0.87 KISS1R (0.53) RENCTSB
SCHEMBL20204696 0.86 REN (0.62) RENCTSSCTSLCTSBCTSK
SCHEMBL20204708 0.86 REN (0.62) RENCTSSCTSLCTSBCTSK
SCHEMBL8527576 0.85 BACE1 (0.49) RENCTSB
SCHEMBL8527552 0.84 PSMB5 (0.49) CTSBCTSK
SCHEMBL30140924 0.83 REN (0.81) RENCTSSCTSLCTSBCTSK

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 1 patent. 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