SCHEMBL9749519

SCHEMBL9749519

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@@H](Cc2cccc(Cl)c2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
REN P00797 10/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CTSS P25774 2/20 0.36
CTSK P43235 1/20 0.36
EPHX2 P34913 1/20 0.36
CACNA1B Q00975 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PGC P20142 1/20 0.35
CTSV O60911 1/20 0.35

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
SCHEMBL9749523 0.90 CACNA1B (0.43) RENGAACYP3A4CTSSCTSK
SCHEMBL9876609 0.90 REN (0.44) RENL3MBTL1CYP3A4CTSSCTSK
SCHEMBL9749944 0.89 CTSS (0.37) RENCYP3A4CTSSCTSKCACNA1B
SCHEMBL10762000 0.87 CTSS (0.41) RENCYP3A4CTSSCTSKCACNA1B
SCHEMBL9876362 0.87 CTSS (0.41) RENCYP3A4CTSSCTSKCACNA1B
SCHEMBL9750052 0.85 CTSS (0.39) RENCYP3A4CTSSCTSKCACNA1B
SCHEMBL9750070 0.85 SCN9A (0.39) RENCYP3A4CTSSCTSKCACNA1B
SCHEMBL8894525 0.84 CTSS (0.39) CTSLRENCYP3A4CTSSCTSK
SCHEMBL7442988 0.84 CTSS (0.39) CTSLRENCYP3A4CTSSCTSK
SCHEMBL8852922 0.84 CACNA1B (0.47) RENALDH1A1CTSSCTSKEPHX2

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
EP-0212903-B1 POLYPEPTIDE DERIVATIVES CONTAINING 5-AMINO-2,5-DISUBSTITUTED-4-HYDROXYPENTANOIC ACID RESIDUES PFIZER INC. (US) 1992-12-30 EP disclosed
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