SCHEMBL19217820

SCHEMBL19217820

CCc1ccc([C@@H](COc2ccc(CC3(C)SC(=O)NC3=O)cc2)C2CC2OC(=O)CCC(=O)O)nc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
MPC2 O95563 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL6931098 0.83 PPARG (0.45) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL16491938 0.83 PPARG (0.45) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6929667 0.77 PPARG (0.64) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6928300 0.77 PPARG (0.64) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6930220 0.77 PPARG (0.64) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6930478 0.76 PPARG (0.50) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14408623 0.75 PPARG (0.50) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL12628859 0.75 PPARG (0.50) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6931166 0.75 PPARG (0.48) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL6931096 0.75 PPARG (0.48) PPARGMPC2CYP2C8CYP2C9CYP3A4

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