SCHEMBL9749523

SCHEMBL9749523

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.43
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
REN P00797 6/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL9750052 0.92 CTSS (0.39) CACNA1BCTSSCTSKPPARGPPARA
SCHEMBL8894525 0.91 CTSS (0.39) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL7442988 0.91 CTSS (0.39) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL9876609 0.91 REN (0.44) CTSSCTSKRENCYP3A4
SCHEMBL9749944 0.91 CTSS (0.37) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL8852922 0.90 CACNA1B (0.47) CACNA1BCTSSCTSKPPARGPPARA
SCHEMBL9749519 0.90 CTSL (0.41) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL7425454 0.89 CTSK (0.43) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL9876362 0.86 CTSS (0.41) CACNA1BCTSSCTSKRENCYP3A4
SCHEMBL10762000 0.86 CTSS (0.41) CACNA1BCTSSCTSKRENCYP3A4

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-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