SCHEMBL19217618

SCHEMBL19217618

C[C@H](COc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.69
PPARG P37231 9/20 0.64
PPARA Q07869 2/20 0.56
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL10223644 0.90 PPARG (0.66) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL12515420 0.89 FFAR1 (0.61) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL12629008 0.89 FFAR1 (0.61) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6931458 0.87 PPARG (0.63) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6931666 0.87 PPARG (0.81) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6931318 0.87 PPARG (0.63) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL12517394 0.87 PPARG (0.81) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL936019 0.87 PPARG (0.75) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6928625 0.87 PPARG (0.75) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6929623 0.87 PPARG (0.75) FFAR1PPARGPPARAMEN1ALDH1A1

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