SCHEMBL13770904

SCHEMBL13770904

CCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSS P25774 5/20 0.47
GPR88 Q9GZN0 4/20 0.45
KLK5 Q9Y337 1/20 0.38
APP P05067 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
BACE1 P56817 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL13688412 0.89 CTSK (0.46) CTSKCTSSGPR88KLK5
SCHEMBL13688435 0.87 CTSK (0.53) CTSKCTSSGPR88
SCHEMBL13707846 0.87 SYK (0.45) CTSKCTSSGPR88KLK5BACE1
SCHEMBL8351985 0.87 CTSK (0.47) CTSKCTSSGPR88KLK5
SCHEMBL3220240 0.87 GPR88 (0.45) GPR88
SCHEMBL13770905 0.85 GPR88 (0.45) GPR88
SCHEMBL13693225 0.85 CTSK (0.43) CTSKCTSSGPR88KLK5CTSL
Hydrochloric Acid SCHEMBL3210982 0.79 GPR88 (0.46) GPR88
SCHEMBL13711107 0.79 CTSS (0.50) CTSKCTSSGPR88BACE1CTSL
SCHEMBL8353220 0.78 SYK (0.51) CTSKCTSSKLK5CTSLCTSB

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-1301486-B1 IMIDAZOLIDINONES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2009-07-01 EP disclosed