SCHEMBL6931373

SCHEMBL6931373

CCc1ccc(C(COC(=O)c2ccccc2)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.35
CYP3A4 P08684 1/20 0.35
RXRA P19793 1/20 0.35
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MPC2 O95563 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
FFAR1 O14842 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30
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
SCHEMBL6928360 0.88 PPARG (0.36) PPARGCYP3A4RXRAHSD11B1MEN1
SCHEMBL21504836 0.81 PPARG (0.39) PPARGCYP3A4RXRAHSD11B1MEN1
SCHEMBL12515425 0.81 PPARG (0.41) PPARGCYP3A4RXRAHSD11B1LMNA
SCHEMBL19217815 0.81 PPARG (0.35) PPARGCYP3A4RXRAHSD11B1MEN1
SCHEMBL19217615 0.80 PPARG (0.38) PPARGCYP3A4RXRAHSD11B1MPC2
SCHEMBL6928382 0.80 PPARG (0.38) PPARGCYP3A4RXRAHSD11B1MPC2
SCHEMBL6928329 0.80 PPARG (0.38) PPARGCYP3A4RXRAHSD11B1MPC2
SCHEMBL17546497 0.79 PPARG (0.45) PPARGCYP3A4RXRAHSD11B1MEN1
SCHEMBL6930392 0.78 PPARG (0.36) PPARGCYP3A4RXRAHSD11B1MPC2
SCHEMBL16491936 0.78 PPARG (0.37) PPARGCYP3A4RXRAHSD11B1MPC2

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