SCHEMBL6931299

SCHEMBL6931299

CCCCCC(=O)OC[C@H](COc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.54
FFAR1 O14842 5/20 0.54
MPC2 O95563 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C9 P11712 2/20 0.49
PPARA Q07869 2/20 0.44
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RXRA P19793 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL6929683 0.87 PPARG (0.54) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL15811625 0.81 FFAR1 (0.54) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL21504870 0.81 FFAR1 (0.54) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19217893 0.81 FFAR1 (0.54) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL12515968 0.81 PPARG (0.71) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6930668 0.79 PPARG (0.66) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928505 0.79 PPARG (0.66) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928503 0.79 PPARG (0.66) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928118 0.78 FFAR1 (0.57) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6929644 0.78 FFAR1 (0.57) PPARGFFAR1MPC2CYP2C8CYP2C9

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 2 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-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