SCHEMBL12333643

SCHEMBL12333643

CC(C)(CNC(=O)CC(N)Cc1cc(F)ccc1F)CNC(=O)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.45
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SCN9A Q15858 2/20 0.41
CTSS P25774 5/20 0.41
CTSK P43235 4/20 0.41
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ACE P12821 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL10078069 0.93 CTSS (0.42) KLK5APPPSEN1PSEN2APH1B
SCHEMBL12291410 0.91 KLK5 (0.45) KLK5APPPSEN1PSEN2APH1B
SCHEMBL10075284 0.87 CTSS (0.40) KLK5SCN9ACTSSCTSKDPP4
SCHEMBL6873681 0.86 LAP3 (0.44) DPP4DPP7
SCHEMBL13195308 0.85 ENPP2 (0.43) DPP4DPP7PTPN1
SCHEMBL13195340 0.85 KLK5 (0.42) KLK5APPPSEN1PSEN2APH1B
SCHEMBL6872873 0.85 ATM (0.48) KLK5APPPSEN1PSEN2APH1B
SCHEMBL10074460 0.84 CTSS (0.42) KLK5SCN9ACTSSCTSKPTPN1
SCHEMBL10074141 0.84 CTSS (0.42) KLK5SCN9ACTSSCTSKPTPN1
SCHEMBL12849466 0.83 KLK5 (0.42) KLK5PSEN1PSEN2APH1BNCSTN

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
WO-2011113895-A2 CHARACTERIZATION AND VALIDATION OF INHIBITORS AND LIGANDS OF DIPEPTIDYL AMINOPEPTIDASE IV (DP IV) IMTM GMBH (DE) 2011-09-22 WO disclosed