SCHEMBL6931832

SCHEMBL6931832

C=C1NC(=O)SC1Cc1ccc(OCC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.68
▸ MPC2 O95563 2/20 0.66
▸ CYP2C8 P10632 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ FFAR1 O14842 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ PPARA Q07869 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL937521 0.90 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL23836847 0.90 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6931416 0.90 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6930322 0.82 PPARG (0.82) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL12515221 0.81 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL21504697 0.81 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL19217836 0.81 PPARG (0.87) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL15811630 0.80 PPARG (0.81) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL623654 0.80 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL18541485 0.80 PPARG (1.00) 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-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-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
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