SCHEMBL6930335

SCHEMBL6930335

COP(=O)(OC)OCOC(COc1ccc(CC2SC(=O)NC2=O)cc1)c1cccc(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.56
FFAR1 O14842 13/20 0.51
PPARA Q07869 2/20 0.48
MPC2 O95563 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16311112 0.92 PPARG (0.56) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL6930264 0.91 PPARG (0.58) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL15811617 0.91 PPARG (0.70) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL14213710 0.87 PPARG (0.41) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL6930420 0.86 PPARG (0.54) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL12628463 0.84 PPARG (0.49) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL19217578 0.83 PPARG (0.54) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL6930345 0.83 PPARG (0.58) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL15811626 0.82 PPARG (0.72) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL6930292 0.81 PPARG (0.55) PPARGFFAR1PPARAMPC2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011084456-A9 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-06-21 WO disclosed
WO-2011084453-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011084456-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011084459-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011075514-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-06-23 WO disclosed