SCHEMBL28413554

SCHEMBL28413554

Cc1csc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.62
PPARD Q03181 12/20 0.62
KCNH2 Q12809 1/20 0.62
PPARG P37231 2/20 0.57
KDR P35968 2/20 0.41
DAO P14920 1/20 0.40

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
SCHEMBL3974927 0.80 KDR (0.43) PPARAPPARDKCNH2PPARGKDR
SCHEMBL13359231 0.79 PPARA (0.78) PPARAPPARDKCNH2PPARG
SCHEMBL4465972 0.79 PPARA (0.63) PPARAPPARDKCNH2PPARG
SCHEMBL11893217 0.79 PPARA (0.63) PPARAPPARDKCNH2PPARG
SCHEMBL22278935 0.78 PPARA (0.64) PPARAPPARDKCNH2PPARG
SCHEMBL25947232 0.78 PPARA (0.62) PPARAPPARDKCNH2PPARG
SCHEMBL21219011 0.78 CYP1A2 (0.56) KDRDAO
SCHEMBL499507 0.78 CYP1A2 (0.56) KDRDAO
SCHEMBL4468143 0.78 PPARA (0.65) PPARAPPARDKCNH2PPARG
SCHEMBL11893126 0.78 PPARA (0.65) PPARAPPARDKCNH2PPARG

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
CN-111183132-A Preparation method of Elafibranor and novel synthetic intermediate 阿德万泰克咨询与技术股份有限公司 2020-05-19 CN disclosed