SCHEMBL19217705

SCHEMBL19217705

O=C1NC(=O)C(Cc2ccc(OCC(OCOC(=O)c3ccccc3)c3cccc(O)c3)cc2)S1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.54
PPARG P37231 7/20 0.53
MPC2 O95563 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
PPARA Q07869 2/20 0.47

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
SCHEMBL19217578 0.82 PPARG (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6931522 0.80 PPARG (0.70) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6928457 0.80 PPARG (0.70) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL10223581 0.80 PPARG (0.70) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217796 0.79 PPARG (0.78) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217860 0.79 PPARG (0.78) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6931208 0.79 PPARG (0.48) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217650 0.79 PPARG (0.56) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6930420 0.79 PPARG (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL15811536 0.79 PPARG (0.69) FFAR1PPARGMPC2CYP2C8CYP2C9

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