SCHEMBL7763641

SCHEMBL7763641

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
CTSS P25774 5/20 0.55
CTSK P43235 3/20 0.55
KLK7 P49862 2/20 0.55
KLK5 Q9Y337 2/20 0.55
SYK P43405 1/20 0.54
PPARA Q07869 1/20 0.54
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 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
SCHEMBL7763637 1.00 MAPT (0.57) MAPTCTSSCTSKKLK7KLK5
SCHEMBL16798514 0.94 MAPT (0.61) MAPTCTSSCTSKKLK7KLK5
SCHEMBL16798512 0.94 MAPT (0.61) MAPTCTSSCTSKKLK7KLK5
SCHEMBL9504309 0.93 MAPT (0.65) MAPTKLK7KLK5MMP1MMP3
SCHEMBL6621271 0.90 MAPT (0.60) MAPTCTSSCTSKKLK7KLK5
SCHEMBL4602404 0.90 MAPT (0.60) MAPTCTSSCTSKKLK7KLK5
SCHEMBL1024713 0.90 MAPT (0.60) MAPTCTSSCTSKKLK7KLK5
SCHEMBL30962415 0.90 MAPT (0.60) MAPTCTSSCTSKKLK7KLK5
SCHEMBL6241676 0.89 SYK (0.61) MAPTCTSSCTSKKLK7KLK5
SCHEMBL6290849 0.87 MAPT (0.52) MAPTCTSSCTSKKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed