SCHEMBL12515420

SCHEMBL12515420

C[C@H](COc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.61
PPARG P37231 11/20 0.57
PPARA Q07869 2/20 0.54
CYP3A4 P08684 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RXRA P19793 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL12629008 1.00 FFAR1 (0.61) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL10223644 0.90 PPARG (0.66) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL19217618 0.89 FFAR1 (0.69) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL6928348 0.88 PPARG (0.66) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL6929680 0.88 PPARG (0.66) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL6929794 0.88 PPARG (0.66) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL6931318 0.87 PPARG (0.63) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL12628459 0.86 PPARG (0.55) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL6931577 0.86 FFAR1 (0.60) FFAR1PPARGPPARACYP3A4MEN1
SCHEMBL16379095 0.83 PPARG (0.64) FFAR1PPARGPPARACYP3A4MEN1

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 2 patents. 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
WO-2011084453-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed