SCHEMBL2729611

SCHEMBL2729611

CC(=O)OC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.49
CTSK P43235 6/20 0.49
KLK5 Q9Y337 1/20 0.48
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.46
EPHX2 P34913 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
AKT1 P31749 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6675710 0.90 CTSS (0.53) CTSSCTSKKLK5CTSBCTSL
SCHEMBL10143850 0.90 CTSS (0.53) CTSSCTSKKLK5CTSBCTSL
SCHEMBL31321421 0.90 CTSS (0.53) CTSSCTSKKLK5CTSBCTSL
SCHEMBL3316394 0.88 KLK5 (0.60) CTSSCTSKKLK5CTSBCTSL
SCHEMBL3498608 0.88 KLK5 (0.60) CTSSCTSKKLK5CTSBCTSL
SCHEMBL19212612 0.88 KLK5 (0.60) CTSSCTSKKLK5CTSBCTSL
Acetic Acid SCHEMBL2728774 0.88 KLK5 (0.59) CTSSCTSKKLK5CTSBCTSL
SCHEMBL30532488 0.87 CTSS (0.62) CTSSCTSKKLK5CTSBCTSL
SCHEMBL13913373 0.86 CTSS (0.50) CTSSCTSKKLK5CTSBCTSL
SCHEMBL1620166 0.86 CTSS (0.50) CTSSCTSKKLK5CTSBCTSL

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-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 WO disclosed