SCHEMBL9876609

SCHEMBL9876609

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@@H](Cc2ccccc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP3A4 P08684 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8462171 0.93 PSMB1 (0.43) RENCTSSCTSK
SCHEMBL9750052 0.92 CTSS (0.39) RENCTSSCTSKCYP3A4
SCHEMBL7442988 0.91 CTSS (0.39) RENCTSSCTSKCYP3A4KMT2A
SCHEMBL8894525 0.91 CTSS (0.39) RENCTSSCTSKCYP3A4KMT2A
SCHEMBL9749523 0.91 CACNA1B (0.43) RENCTSSCTSKCYP3A4
SCHEMBL8852922 0.90 CACNA1B (0.47) RENCTSSCTSKKMT2A
SCHEMBL9876362 0.90 CTSS (0.41) RENCTSSCTSKCYP3A4
SCHEMBL10762000 0.90 CTSS (0.41) RENCTSSCTSKCYP3A4
SCHEMBL9749519 0.90 CTSL (0.41) RENCTSSCTSKCYP3A4L3MBTL1
SCHEMBL7425454 0.89 CTSK (0.43) RENCTSSCTSKCYP3A4

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