SCHEMBL2367207

SCHEMBL2367207

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.51
KLK5 Q9Y337 3/20 0.51
MAPT P10636 1/20 0.50
CTSK P43235 3/20 0.47
SYK P43405 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSS P25774 2/20 0.44
PPARA Q07869 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL29401595 0.91 MAPT (0.53) KLK7KLK5MAPTCTSKSYK
SCHEMBL4850576 0.86 KLK7 (0.50) KLK7KLK5MAPTCTSKSYK
SCHEMBL10873871 0.82 KLK7 (0.67) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL1021830 0.82 CTSK (0.50) KLK7KLK5MAPTCTSKSYK
SCHEMBL8955505 0.82 KLK7 (0.64) KLK7KLK5MAPTCTSKSYK
SCHEMBL1023528 0.82 KLK7 (0.47) KLK7KLK5MAPTCTSKCTSS
SCHEMBL3820597 0.81 KLK7 (0.50) KLK7KLK5MAPTCTSKSYK
SCHEMBL375888 0.81 KLK7 (0.50) KLK7KLK5MAPTCTSKSYK
SCHEMBL13120843 0.81 KLK7 (0.63) KLK7KLK5MAPTCTSKSYK
SCHEMBL14014416 0.81 KLK7 (0.63) KLK7KLK5MAPTCTSKSYK

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-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed