SCHEMBL19217893

SCHEMBL19217893

CCCCCC(=O)OCOC(COc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.54
PPARG P37231 10/20 0.47
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
PPARA Q07869 1/20 0.43
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXRA P19793 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL15811625 1.00 FFAR1 (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL21504870 1.00 FFAR1 (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217773 0.89 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL14213636 0.86 FFAR1 (0.38) FFAR1PPARGMAPTALOX15
SCHEMBL19559681 0.84 PPARG (0.41) FFAR1PPARGMAPTALOX15
SCHEMBL6929683 0.83 PPARG (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217880 0.82 PPARG (0.49) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6929486 0.82 PPARG (0.50) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6931299 0.81 PPARG (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217847 0.81 PPARG (0.58) 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