SCHEMBL5779877

SCHEMBL5779877

Cc1cc(CCNC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
MAPT P10636 1/20 0.50
CTSK P43235 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSS P25774 2/20 0.48
PTPN1 P18031 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 1/20 0.47
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTGER4 P35408 1/20 0.46
CTSL P07711 1/20 0.45

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
SCHEMBL5996732 0.89 CTSK (0.61) KLK7KLK5MAPTCTSKCTSS
SCHEMBL5656256 0.85 CTSK (0.54) KLK7KLK5MAPTCTSKCTSS
SCHEMBL7693003 0.85 KLK7 (0.56) KLK7KLK5MAPTCTSKSMN1; SMN2
SCHEMBL5653726 0.84 KLK7 (0.51) KLK7KLK5MAPTCTSKSMN1; SMN2
SCHEMBL4857149 0.83 MAPT (0.58) KLK7KLK5MAPTCTSKCTSS
SCHEMBL25502674 0.82 MAPT (0.60) KLK7KLK5MAPTCTSKCTSS
SCHEMBL5822432 0.82 PTGER4 (0.51) SMN1; SMN2CA1CA2CPB1CPB2
SCHEMBL30902907 0.82 MAPT (0.65) KLK7KLK5MAPTCTSKCTSS
SCHEMBL16124431 0.82 MAPT (0.60) KLK7KLK5MAPTCTSKCTSS
SCHEMBL23626336 0.81 CPB1 (0.67) KLK7KLK5MAPTCTSKCTSS

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-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed