SCHEMBL6930478

SCHEMBL6930478

CCc1ccc(C(C)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.50
CYP3A4 P08684 1/20 0.38
RXRA P19793 1/20 0.38
MPC2 O95563 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CISD1 Q9NZ45 1/20 0.32
SOD1 P00441 1/20 0.32
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
PLA2G2A P14555 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6929667 0.89 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6930220 0.89 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6928300 0.89 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12628859 0.87 PPARG (0.50) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL14408623 0.87 PPARG (0.50) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6931096 0.84 PPARG (0.48) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6931166 0.84 PPARG (0.48) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12515425 0.82 PPARG (0.41) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6931095 0.81 PPARG (0.45) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL16491937 0.81 PPARG (0.45) PPARGCYP3A4RXRAMPC2CYP2C8

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 3 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