SCHEMBL13480482

SCHEMBL13480482

C[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
SYK P43405 1/20 0.56
KLK7 P49862 2/20 0.55
KLK5 Q9Y337 2/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
FOLH1 Q04609 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TGM2 P21980 1/20 0.49

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
SCHEMBL24845246 0.97 MAPT (0.70) MAPTSYKKLK7KLK5HTT
SCHEMBL24845372 0.92 MAPT (0.64) MAPTSYKKLK7KLK5HTT
SCHEMBL28312630 0.90 MAPT (0.57) MAPTSYKKLK7KLK5HTT
SCHEMBL28312629 0.90 MAPT (0.57) MAPTSYKKLK7KLK5HTT
SCHEMBL16789691 0.89 MAPT (0.63) MAPTSYKKLK7KLK5HTT
SCHEMBL5440929 0.88 SYK (0.64) MAPTSYKKLK7KLK5HTT
SCHEMBL1374913 0.87 MAPT (0.64) MAPTSYKKLK7KLK5ITGB3
SCHEMBL1374918 0.87 MAPT (0.64) MAPTSYKKLK7KLK5ITGB3
SCHEMBL8955505 0.87 KLK7 (0.64) MAPTSYKKLK7KLK5HTT
SCHEMBL2369249 0.87 MAPT (0.64) MAPTSYKKLK7KLK5ITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed