SCHEMBL6930191

SCHEMBL6930191

C=C1NC(=O)SC1Cc1ccc(OC[C@H](OC(=O)CCC(=O)O)c2ccc(CC)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.58
MPC2 O95563 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 2/20 0.47
RXRA P19793 2/20 0.47
FFAR1 O14842 6/20 0.37
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RARG P13631 1/20 0.35

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
SCHEMBL12514939 1.00 PPARG (0.58) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6928252 0.93 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL21504838 0.93 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6931214 0.93 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL10852118 0.85 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL10850929 0.84 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL10851222 0.84 PPARG (0.73) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6930236 0.83 PPARG (0.67) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6930472 0.82 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6931081 0.82 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9CYP3A4

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
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-2011075514-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-06-23 WO disclosed