SCHEMBL19217752

SCHEMBL19217752

COc1ccc([C@@H](O)COc2ccc(CC3SC(=O)N(N)C3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.52
FFAR1 O14842 2/20 0.43
HSD17B3 P37058 1/20 0.38
AOC3 Q16853 2/20 0.37
GAA P10253 1/20 0.37
DRD4 P21917 1/20 0.36
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19559726 0.89 PPARG (0.49) PPARGFFAR1
SCHEMBL19217570 0.89 PPARG (0.68) PPARGFFAR1AOC3MPC2CYP2C8
SCHEMBL19559659 0.86 PPARG (0.41) PPARGFFAR1HSD17B3GAAMPC2
SCHEMBL19559693 0.86 PPARG (0.41) PPARGFFAR1HSD17B3GAAMPC2
SCHEMBL19217776 0.82 PPARG (0.52) PPARGFFAR1CYP2C9
SCHEMBL19559756 0.82 PPARG (0.52) PPARGFFAR1CYP2C9
SCHEMBL19559762 0.81 PPARG (0.45) PPARGFFAR1HSD17B3MPC2CYP2C8
SCHEMBL19559741 0.80 PPARG (0.37) PPARGFFAR1HSD17B3GAAMPC2
SCHEMBL19217761 0.80 PPARG (0.68) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559661 0.80 PPARG (0.53) PPARGGAAMPC2CYP2C8CYP2C9

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