SCHEMBL21758868

SCHEMBL21758868

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.71
PPARG P37231 1/20 0.71
PPARD Q03181 1/20 0.71
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12186109 0.90 PPARG (0.77) PPARAPPARGPPARDLMNAMAPT
SCHEMBL20032087 0.86 PPARG (0.80) PPARAPPARGPPARDLMNAMAPT
SCHEMBL814777 0.85 PPARA (0.75) PPARAPPARGPPARDLMNAMAPT
SCHEMBL814753 0.85 PPARA (0.78) PPARAPPARGPPARDLMNAMAPT
SCHEMBL21351480 0.83 PPARA (0.83) PPARAPPARGPPARDLMNAMAPT
Elafibranor SCHEMBL23143340 0.83 PPARA (1.00) PPARAPPARGPPARDLMNAMAPT
Elafibranor SCHEMBL815512 0.83 PPARA (1.00) PPARAPPARGPPARDLMNAMAPT
Elafibranor SCHEMBL16552997 0.83 PPARA (1.00) PPARAPPARGPPARDLMNAMAPT
SCHEMBL20110591 0.83 PPARA (0.83) PPARAPPARGPPARDLMNAMAPT
SCHEMBL20932824 0.82 PPARG (0.80) PPARAPPARGPPARDLMNAMAPT

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
WO-2020039297-A1 NOVEL COMPOUNDS AND THEIR USE IN PREPARATION OF ELAFIBRANOR AND PHARMACEUTICAL ACCEPTABLE SALTS THEREOF MANKIND PHARMA LTD. (IN) 2020-02-27 WO disclosed