SCHEMBL20032087

SCHEMBL20032087

COC(=O)C(C)(C)Oc1c(C)cc(/C=C/C(=O)c2ccc(SC)cc2)cc1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.80
PPARD Q03181 1/20 0.80
PPARA Q07869 1/20 0.80
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL814753 0.90 PPARA (0.78) PPARGPPARDPPARAMEN1ALDH1A1
SCHEMBL12186109 0.89 PPARG (0.77) PPARGPPARDPPARAMEN1ALDH1A1
Elafibranor SCHEMBL23143340 0.89 PPARA (1.00) PPARGPPARDPPARAMEN1ALDH1A1
Elafibranor SCHEMBL16552997 0.89 PPARA (1.00) PPARGPPARDPPARAMEN1ALDH1A1
SCHEMBL20110591 0.89 PPARA (0.83) PPARGPPARDPPARAMEN1ALDH1A1
Elafibranor SCHEMBL815512 0.89 PPARA (1.00) PPARGPPARDPPARAMEN1ALDH1A1
SCHEMBL814777 0.88 PPARA (0.75) PPARGPPARDPPARAMEN1ALDH1A1
SCHEMBL20932824 0.87 PPARG (0.80) PPARGPPARDPPARAMEN1ALDH1A1
SCHEMBL21351480 0.87 PPARA (0.83) PPARGPPARDPPARAMEN1ALDH1A1
SCHEMBL21758868 0.86 PPARA (0.71) PPARGPPARDPPARAMEN1ALDH1A1

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-3518912-B1 DUAL-ACTION ELAFIBRANOR METFORMIN SALT FOR TREATING OBESITY ASSOCIATED WITH NON-ALCOHOLIC STEATOHEPATITIS (NASH) AND HYPERTRIGLYCERIDAEMIA NASHPHARM (FR) 2020-12-30 EP disclosed
WO-2018060373-A1 DUAL-ACTION ELAFIBRANOR METFORMIN SALT FOR TREATING OBESITY ASSOCIATED WITH NON-ALCOHOLIC STEATOHEPATITIS (NASH) AND HYPERTRIGLYCERIDAEMIA NASHPHARM (FR) 2018-04-05 WO disclosed