SCHEMBL9551920

SCHEMBL9551920

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL9677769 1.00 REN (0.43) RENCTSSCTSKCTSDCTSE
SCHEMBL9551921 1.00 REN (0.43) RENCTSSCTSKCTSDCTSE
SCHEMBL9676600 1.00 REN (0.43) RENCTSSCTSKCTSDCTSE
SCHEMBL9676607 1.00 REN (0.43) RENCTSSCTSKCTSDCTSE
SCHEMBL10866353 1.00 REN (0.43) RENCTSSCTSKCTSDCTSE
SCHEMBL9676521 0.86 CA1 (0.46) CTSSCTSKCA1CA2CA7
SCHEMBL9675593 0.86 CA1 (0.46) CTSSCTSKCA1CA2CA7
SCHEMBL7445228 0.84 CA1 (0.44) CTSSCTSKCA1CA2CA7
SCHEMBL7438624 0.83 CA1 (0.40) RENCTSSCTSKCTSDCTSE
SCHEMBL9677665 0.83 REN (0.54) RENCTSSCTSKCTSDCTSE

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
JP-5222063-A None JP disclosed
JP-H05222063-A INTERMEDIATE FOR RENIN INHIBITORY POLYPEPTIDE UPJOHN CO:THE 1993-08-31 JP disclosed
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
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed