SCHEMBL11136103

SCHEMBL11136103

CCCCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)O.CCCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSS P25774 4/20 0.47
PPARG P37231 8/20 0.46
PPARA Q07869 8/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
PPARD Q03181 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 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
SCHEMBL7444498 0.97 CTSK (0.49) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL10692756 0.95 PPARA (0.50) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL13855559 0.92 CTSK (0.47) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL432222 0.86 PPARA (0.57) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL2541324 0.86 PPARA (0.57) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL5351802 0.86 PPARA (0.57) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL316084 0.86 PPARA (0.57) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL13489723 0.86 PPARA (0.57) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL7430468 0.85 PPARG (0.55) CTSKCTSSPPARGPPARACYP1A2
SCHEMBL19710006 0.85 CTSK (0.51) CTSKCTSSPPARGPPARACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4414149-A POLYPEPTIDE ARMOUR PHARMACEUTICAL COMPANY (US) 1983-11-08 US disclosed