SCHEMBL9876326

SCHEMBL9876326

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP3 P08254 3/20 0.48
MMP2 P08253 2/20 0.48
MMP1 P03956 1/20 0.48
REN P00797 3/20 0.47
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
HTRA1 Q92743 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL9874408 0.89 REN (0.49) MMP3MMP2MMP1RENCPB1
SCHEMBL9876474 0.87 REN (0.59) RENHTRA1
SCHEMBL10459436 0.87 REN (0.47) MMP3MMP2MMP1RENSIRT2
SCHEMBL10460175 0.82 REN (0.53) REN
SCHEMBL26222682 0.81 CA1 (0.61) CA1CA2MMP3CPB1CPB2
SCHEMBL9876282 0.81 REN (0.49) MMP3MMP2MMP1RENCTSL
SCHEMBL9876509 0.80 REN (0.45) MMP3MMP2MMP1RENCPB1
SCHEMBL7300559 0.79 MEN1 (0.52) RENHTRA1CTSLCTSSCTSK
SCHEMBL10631298 0.79 REN (0.46) MMP3MMP2MMP1RENCTSL
SCHEMBL10631292 0.79 REN (0.46) MMP3MMP2MMP1RENCTSL

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-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