SCHEMBL9876535

SCHEMBL9876535

CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.63
CTSS P25774 5/20 0.61
CTSB P07858 2/20 0.61
CTSL P07711 1/20 0.61
REN P00797 3/20 0.60
ACE P12821 2/20 0.59
PTPN1 P18031 2/20 0.56
GNPAT O15228 1/20 0.56
AKT1 P31749 1/20 0.54
MME P08473 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53

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
SCHEMBL9876540 1.00 CTSK (0.63) CTSKCTSSCTSBCTSLREN
SCHEMBL22962442 1.00 CTSK (0.63) CTSKCTSSCTSBCTSLREN
SCHEMBL22962239 0.95 CTSK (0.61) CTSKCTSSCTSBCTSLREN
SCHEMBL29531081 0.94 REN (0.65) CTSKCTSSCTSBCTSLREN
SCHEMBL29651477 0.93 REN (0.57) CTSKCTSSCTSBCTSLREN
SCHEMBL22962429 0.91 REN (0.61) CTSKCTSSCTSBCTSLREN
SCHEMBL11345784 0.91 CTSK (0.63) CTSKCTSSCTSBCTSLREN
SCHEMBL28269191 0.90 CTSS (0.60) CTSKCTSSCTSBCTSLREN
SCHEMBL28269194 0.90 CTSS (0.60) CTSKCTSSCTSBCTSLREN
SCHEMBL29651429 0.90 CTSS (0.60) CTSKCTSSCTSBCTSLREN

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
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed