SCHEMBL9876516

SCHEMBL9876516

CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.59
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 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
SCHEMBL9876035 0.86 REN (0.59) REN
SCHEMBL10867564 0.85 REN (0.55) REN
Hydrochloric Acid SCHEMBL9876270 0.85 ANPEP (0.51) RENSIRT2SIRT1
SCHEMBL22834040 0.83 MAPT (0.59)
SCHEMBL22834041 0.83 MAPT (0.59)
SCHEMBL22834242 0.83 KLK7 (0.54)
SCHEMBL22834240 0.83 KLK7 (0.54)
SCHEMBL18942686 0.81 KLK7 (0.65) SIRT2SIRT1
SCHEMBL24130643 0.81 KLK7 (0.59) SIRT2SIRT1
SCHEMBL24130639 0.81 KLK7 (0.59) SIRT2SIRT1

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 3 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