SCHEMBL9504309

SCHEMBL9504309

CNC(=O)[C@H](CCCCNC(=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
KLK7 P49862 2/20 0.64
KLK5 Q9Y337 2/20 0.64
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
MMP1 P03956 1/20 0.57
MMP3 P08254 1/20 0.57
MMP9 P14780 1/20 0.57
SIRT5 Q9NXA8 1/20 0.56
SIRT1 Q96EB6 4/20 0.56
SIRT2 Q8IXJ6 4/20 0.56
SIRT3 Q9NTG7 3/20 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
SCHEMBL16798512 0.97 MAPT (0.61) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL16798514 0.97 MAPT (0.61) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL7763641 0.93 MAPT (0.57) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL7763637 0.93 MAPT (0.57) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL30902907 0.92 MAPT (0.65) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL17133648 0.91 MAPT (0.64) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL7316805 0.91 MAPT (0.64) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL17309872 0.90 MAPT (0.68) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL2334326 0.90 MAPT (0.68) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL2334319 0.90 MAPT (0.68) MAPTKLK7KLK5ITGB3ITGA2B

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
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed