SCHEMBL19217815

SCHEMBL19217815

CCc1ccc(C(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)OC(=O)Cc2ccccc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.33
RXRA P19793 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR1 O14842 3/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 3/20 0.31
ALDH1A1 P00352 1/20 0.31
KLK7 P49862 2/20 0.31
HSD11B1 P28845 1/20 0.31
ALOX5 P09917 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 0.89 PPARG (0.36) PPARGTSHRCYP3A4RXRAPPARA
SCHEMBL6930392 0.89 PPARG (0.36) PPARGCYP3A4RXRAALDH1A1HSD11B1
SCHEMBL19217615 0.88 PPARG (0.38) PPARGCYP3A4RXRAALDH1A1HSD11B1
SCHEMBL6928329 0.88 PPARG (0.38) PPARGCYP3A4RXRAALDH1A1HSD11B1
SCHEMBL6928382 0.88 PPARG (0.38) PPARGCYP3A4RXRAALDH1A1HSD11B1
SCHEMBL19217788 0.87 PPARG (0.35) PPARGCYP3A4RXRAHSD11B1
SCHEMBL16491936 0.86 PPARG (0.37) PPARGCYP3A4RXRAHSD11B1
SCHEMBL21504836 0.86 PPARG (0.39) PPARGCYP3A4RXRAFFAR1MEN1
SCHEMBL12515425 0.81 PPARG (0.41) PPARGCYP3A4RXRALMNAHSD11B1
SCHEMBL6931373 0.81 PPARG (0.35) PPARGCYP3A4RXRAPRKCAPRKCD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 EP disclosed