SCHEMBL4304258

SCHEMBL4304258

CCOC(=O)C(Cc1ccccc1)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
PPARA Q07869 5/20 0.53
PPARG P37231 4/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.52
FOLH1 Q04609 1/20 0.52
ATM Q13315 1/20 0.50
APP P05067 1/20 0.49
MAPK1 P28482 1/20 0.48
PPARD Q03181 2/20 0.48
KLK5 Q9Y337 1/20 0.48
EPHX2 P34913 1/20 0.48
AKT1 P31749 1/20 0.47

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
SCHEMBL8684458 0.89 NAALAD2 (0.66) ACECTSSCTSKCTSLCTSB
SCHEMBL9439238 0.89 NAALAD2 (0.66) ACECTSSCTSKCTSLCTSB
SCHEMBL20836770 0.89 NAALAD2 (0.66) ACECTSSCTSKCTSLCTSB
SCHEMBL1323164 0.89 NAALAD2 (0.66) ACECTSSCTSKCTSLCTSB
SCHEMBL3770150 0.86 ACE (0.60) ACECTSSCTSKCTSLCTSB
SCHEMBL12122453 0.85 CTSS (0.64) ACECTSSCTSKCTSLCTSB
SCHEMBL1273042 0.85 CTSS (0.64) ACECTSSCTSKCTSLCTSB
SCHEMBL4304262 0.84 KLK5 (0.59) ACECTSSCTSKCTSLCTSB
SCHEMBL4347053 0.84 KLK5 (0.59) ACECTSSCTSKCTSLCTSB
SCHEMBL4304252 0.84 KLK5 (0.59) ACECTSSCTSKCTSLCTSB

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-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed