SCHEMBL7430468

SCHEMBL7430468

CCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.55
PPARA Q07869 9/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
PPARD Q03181 2/20 0.53
CTSK P43235 6/20 0.50
CTSS P25774 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7757488 0.94 PPARG (0.53) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL23117326 0.94 PPARG (0.53) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL21153885 0.91 PPARA (0.57) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL6484104 0.91 PPARA (0.57) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL8015241 0.90 PPARG (0.49) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL8015239 0.88 PPARG (0.47) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL30788842 0.87 CTSK (0.52) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL7444498 0.87 CTSK (0.49) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL23927278 0.86 PPARA (0.64) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL7428634 0.86 CYP1A2 (0.49) PPARGPPARACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 WO disclosed