SCHEMBL7339869

SCHEMBL7339869

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)COCc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.55
CTSS P25774 7/20 0.55
CTSK P43235 5/20 0.55
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
PPARA Q07869 2/20 0.48
EPHX2 P34913 1/20 0.46
AKT1 P31749 1/20 0.46
ATM Q13315 1/20 0.46
REN P00797 1/20 0.45
KLK5 Q9Y337 1/20 0.45
PPARG P37231 1/20 0.44

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
SCHEMBL7339862 1.00 ACE (0.55) ACECTSSCTSKCTSBCTSL
SCHEMBL7341568 0.83 CTSK (0.50) CTSSCTSK
SCHEMBL7341575 0.83 CTSK (0.50) CTSSCTSK
SCHEMBL7340534 0.82 ACE (0.54) ACECTSSCTSKCTSBCTSL
SCHEMBL7340544 0.82 ACE (0.54) ACECTSSCTSKCTSBCTSL
SCHEMBL8308836 0.82 CTSS (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL7346655 0.82 ACE (0.53) ACECTSSCTSKCTSBCTSL
SCHEMBL7346643 0.82 ACE (0.53) ACECTSSCTSKCTSBCTSL
SCHEMBL7301757 0.80 CAPN1 (0.58) CTSSCTSKCTSBCTSL
SCHEMBL7301769 0.80 CAPN1 (0.58) CTSSCTSKCTSBCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603873-B1 Aminoketone derivatives MITSUBISHI CHEM CORP (JP) 1998-04-15 EP disclosed
US-5424325-A Inibitors of thiol protease and may be used as therapeutic agents for treating muscular dystrophy, cataracts, strokes MITSUBISHI KASEI CORPORATION (JP) 1995-06-13 US disclosed
EP-0603873-A1 Aminoketone derivatives Mitsubishi Chemical Corporation (JP) 1994-06-29 EP disclosed