SCHEMBL6510326

SCHEMBL6510326

COC(=O)C(Cc1ccc(O)cc1)/C(C)=N/OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
PTPRB P23467 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LNPEP Q9UIQ6 1/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FOLH1 Q04609 1/20 0.38
PPARD Q03181 1/20 0.38
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL6508785 1.00 MIF (0.48) MIFESR1ESR2PPARGPPARA
SCHEMBL6507933 0.87 ESR1 (0.50) MIFESR1ESR2PPARGPPARA
SCHEMBL6510040 0.87 ESR1 (0.50) MIFESR1ESR2PPARGPPARA
SCHEMBL5798926 0.85 ESR1 (0.54) MIFESR1ESR2PPARGPPARA
SCHEMBL5798930 0.85 ESR1 (0.54) MIFESR1ESR2PPARGPPARA
SCHEMBL6511070 0.85 ESR1 (0.48) MIFESR1ESR2PPARGPPARA
SCHEMBL6511074 0.85 ESR1 (0.48) MIFESR1ESR2PPARGPPARA
SCHEMBL6507419 0.84 ESR1 (0.50) MIFESR1ESR2PPARGPPARA
SCHEMBL6507417 0.84 ESR1 (0.50) MIFESR1ESR2PPARGPPARA
SCHEMBL6509595 0.84 ESR1 (0.47) MIFESR1ESR2PPARGPPARA

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed