SCHEMBL7349733

SCHEMBL7349733

COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)CSCc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
CTSS P25774 2/20 0.50
PPARG P37231 8/20 0.43
PPARA Q07869 8/20 0.43
PPARD Q03181 2/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
ACE P12821 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL7349722 1.00 CTSK (0.50) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340555 0.91 CTSK (0.51) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340560 0.91 CTSK (0.51) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7308148 0.89 CTSK (0.49) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7308157 0.89 CTSK (0.49) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340856 0.87 CTSK (0.53) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340849 0.87 CTSK (0.53) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340534 0.84 ACE (0.54) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340544 0.84 ACE (0.54) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7344733 0.84 CTSK (0.54) CTSKCTSSPPARGPPARAPPARD

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