SCHEMBL9677665

SCHEMBL9677665

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.54
CTSD P07339 1/20 0.49
CTSE P14091 1/20 0.49
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
BACE1 P56817 1/20 0.43

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
SCHEMBL9677655 1.00 REN (0.54) RENCTSDCTSECTSSCTSK
SCHEMBL10869113 0.84 CA1 (0.54) RENCTSSCTSKBACE1
SCHEMBL9675596 0.84 CA1 (0.54) RENCTSSCTSKBACE1
SCHEMBL9675618 0.84 CA1 (0.54) RENCTSSCTSKBACE1
SCHEMBL9678129 0.84 CA1 (0.54) RENCTSSCTSKBACE1
SCHEMBL13893333 0.84 CA1 (0.54) RENCTSSCTSKBACE1
SCHEMBL10754918 0.83 KLK5 (0.49) RENCTSSCTSK
SCHEMBL10754923 0.83 KLK5 (0.49) RENCTSSCTSK
SCHEMBL10754932 0.83 KLK5 (0.49) RENCTSSCTSK
SCHEMBL9676607 0.83 REN (0.43) RENCTSDCTSECTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
US-4829072-A BACTERICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1989-05-09 US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed