SCHEMBL6931416

SCHEMBL6931416

C=C1NC(=O)SC1Cc1ccc(OCC(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.83
MPC2 O95563 2/20 0.83
CYP2C8 P10632 2/20 0.83
CYP2C9 P11712 2/20 0.83
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
BLM P54132 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR1 O14842 4/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL18541485 0.91 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL18541511 0.91 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL623654 0.91 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL29376450 0.91 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL6931832 0.90 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL16075636 0.84 PPARG (0.80) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL16075634 0.84 PPARG (0.80) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL16075632 0.84 PPARG (0.80) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL12287143 0.82 PPARG (0.79) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6930322 0.81 PPARG (0.82) PPARGMPC2CYP2C8CYP2C9FFAR1

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