SCHEMBL8640339

SCHEMBL8640339

CCOC(=O)C(CCN[C@@H](CC(C)C)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MMP8 P22894 1/20 0.43
MME P08473 2/20 0.43
CASR P41180 1/20 0.42
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL27300721 0.87 HSD17B10 (0.48) HSD17B10ALDH1A1
SCHEMBL7381785 0.87 MME (0.48) MMP8MMECASRGAAALDH1A1
SCHEMBL6276114 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MMP8CASRSLC22A1GAA
SCHEMBL3840238 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MMP8CASRSLC22A1GAA
SCHEMBL9773126 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MMP8CASRSLC22A1GAA
SCHEMBL9363838 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MMP8CASRSLC22A1GAA
SCHEMBL7257080 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MMP8CASRSLC22A1GAA
SCHEMBL27995630 0.79 MMP8 (0.51) SMN1; SMN2MMP8HSD17B10GAALMNA
SCHEMBL10603601 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MMP8CASRGAAALDH1A1
SCHEMBL20113912 0.77 MMP8 (0.50) SMN1; SMN2MMP8CASRGAALMNA

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
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed
EP-0766694-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-04-09 EP disclosed
WO-1995035307-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1995-12-28 WO disclosed