SCHEMBL7340849

SCHEMBL7340849

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
CTSS P25774 4/20 0.53
PPARA Q07869 8/20 0.51
PPARG P37231 7/20 0.51
PPARD Q03181 2/20 0.47
ACE P12821 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7340856 1.00 CTSK (0.53) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7340534 0.90 ACE (0.54) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7340544 0.90 ACE (0.54) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7340560 0.88 CTSK (0.51) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7340555 0.88 CTSK (0.51) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7349722 0.87 CTSK (0.50) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7349733 0.87 CTSK (0.50) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7308157 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7308148 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGPPARD
SCHEMBL7303351 0.83 REN (0.57) CTSKCTSSACECTSLCTSB

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