SCHEMBL7340544

SCHEMBL7340544

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54
CTSS P25774 5/20 0.54
CTSK P43235 4/20 0.54
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
PPARD Q03181 2/20 0.48
AKT1 P31749 1/20 0.46
CA2 P00918 1/20 0.45
ATM Q13315 1/20 0.45
REN P00797 1/20 0.44
KLK5 Q9Y337 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
SCHEMBL7340534 1.00 ACE (0.54) ACECTSSCTSKPPARGPPARA
SCHEMBL7303351 0.92 REN (0.57) ACECTSSCTSKCTSLCTSB
SCHEMBL7303359 0.92 REN (0.57) ACECTSSCTSKCTSLCTSB
SCHEMBL7345612 0.91 CTSS (0.51) ACECTSSCTSKPPARGPPARA
SCHEMBL7349130 0.91 PPARG (0.52) ACECTSSCTSKPPARGPPARA
SCHEMBL7345598 0.91 CTSS (0.51) ACECTSSCTSKPPARGPPARA
SCHEMBL7340856 0.90 CTSK (0.53) ACECTSSCTSKPPARGPPARA
SCHEMBL7340849 0.90 CTSK (0.53) ACECTSSCTSKPPARGPPARA
SCHEMBL9181870 0.89 CTSS (0.55) ACECTSSCTSKPPARGPPARA
SCHEMBL7347953 0.89 CTSS (0.55) ACECTSSCTSKPPARGPPARA

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