SCHEMBL7340560

SCHEMBL7340560

CCCC(NC(=O)OC(C)(C)C)C(=O)CSCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.51
CTSS P25774 5/20 0.51
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
PPARD Q03181 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSL P07711 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7340555 1.00 CTSK (0.51) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7308157 0.94 CTSK (0.49) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7308148 0.94 CTSK (0.49) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7349733 0.91 CTSK (0.50) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7349722 0.91 CTSK (0.50) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340849 0.88 CTSK (0.53) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7340856 0.88 CTSK (0.53) CTSKCTSSPPARGPPARAPPARD
SCHEMBL7301786 0.86 CTSK (0.45) CTSKCTSSCTSL
SCHEMBL7301807 0.86 CTSK (0.45) CTSKCTSSCTSL
SCHEMBL7340544 0.85 ACE (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