SCHEMBL22340236

SCHEMBL22340236

CCOc1ccc(OC/C=C(/c2ccc(F)cc2)c2ccc(C#CCN3CCOCC3)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.44
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
MAPK14 Q16539 2/20 0.41
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL22340277 0.93 PPARD (0.45) PPARDPPARGPPARAALDH1A1HPGD
SCHEMBL24474598 0.92 PPARD (0.46) PPARDPPARGPPARAMAPK14ALDH1A1
SCHEMBL22340278 0.91 PPARD (0.51) PPARDPPARGPPARAALDH1A1HPGD
Mavodelpar SCHEMBL1746569 0.91 PPARD (0.55) PPARDPPARGPPARAMAPK14
Mavodelpar SCHEMBL1746564 0.91 PPARD (0.55) PPARDPPARGPPARAMAPK14
Mavodelpar SCHEMBL1746567 0.91 PPARD (0.55) PPARDPPARGPPARAMAPK14
Mavodelpar SCHEMBL22323854 0.90 PPARD (0.54) PPARDPPARGPPARAMAPK14
Mavodelpar SCHEMBL18197414 0.90 PPARD (0.54) PPARDPPARGPPARAMAPK14
Mavodelpar SCHEMBL18197418 0.90 PPARD (0.54) PPARDPPARGPPARAMAPK14
Mavodelpar SCHEMBL18197415 0.90 PPARD (0.47) PPARDPPARGPPARAMAPK14ALDH1A1

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
WO-2021055725-A1 USE OF A PPAR-DELTA AGONIST IN THE TREATMENT OF KIDNEY DISEASE RENEO PHARMACEUTICALS, INC. (US) 2021-03-25 WO disclosed
WO-2020163240-A1 USE OF A PPAR-DELTA AGONIST IN THE TREATMENT OF FATTY ACID OXIDATION DISORDERS (FAOD) RENEO PHARMACEUTICALS, INC. (US) 2020-08-13 WO disclosed