SCHEMBL6556301

SCHEMBL6556301

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.52
KLK5 Q9Y337 3/20 0.51
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CMA1 P23946 1/20 0.48
ATM Q13315 1/20 0.47
ACE P12821 1/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
AKT1 P31749 1/20 0.45
APP P05067 1/20 0.43

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
SCHEMBL6556306 0.90 ATM (0.54) RENKLK5CTSSCTSKCTSL
SCHEMBL6556305 0.90 ATM (0.54) RENKLK5CTSSCTSKCTSL
SCHEMBL8606837 0.90 CMA1 (0.51) RENKLK5CTSSCTSKCTSL
SCHEMBL7355735 0.86 KLK5 (0.56) RENKLK5CTSSCTSKCTSL
SCHEMBL7355740 0.86 KLK5 (0.56) RENKLK5CTSSCTSKCTSL
SCHEMBL9081107 0.85 REN (0.49) RENKLK5CTSSCTSKCTSL
SCHEMBL6556253 0.83 KLK5 (0.53) RENKLK5CTSSCTSKCTSL
SCHEMBL6556246 0.83 KLK5 (0.53) RENKLK5CTSSCTSKCTSL
SCHEMBL6558292 0.83 KLK5 (0.48) RENKLK5CTSSCTSKCTSL
SCHEMBL7422374 0.82 BCL2 (0.49) RENKLK5ATM

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-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed