SCHEMBL9874334

SCHEMBL9874334

O=C(NCCCCCNC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.79
TGM2 P21980 1/20 0.78
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
KEAP1 Q14145 3/20 0.69
NFE2L2 Q16236 3/20 0.69
FOLH1 Q04609 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
DPP8 Q6V1X1 1/20 0.57
DPP7 Q9UHL4 1/20 0.57
MAPT P10636 1/20 0.57
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
SLC1A3 P43003 1/20 0.56
SLC1A1 P43005 1/20 0.56

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
SCHEMBL15346534 1.00 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 1.00 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.98 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL6447301 0.95 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7877730 0.95 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL234271 0.94 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL31400174 0.94 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL16692078 0.94 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL17634037 0.94 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL887187 0.94 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1

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 8 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-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 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
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 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
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed