SCHEMBL6574178

SCHEMBL6574178

CCOC(=O)[C@@](C)(OC)c1ccc(OCCCOc2ccc(-c3ccccc3)cc2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.54
PPARD Q03181 10/20 0.54
PPARG P37231 11/20 0.49
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5578931 1.00 PPARA (0.54) PPARAPPARDPPARGKDM4EGAA
SCHEMBL5579015 0.89 PPARA (0.56) PPARAPPARDPPARGKDM4EGAA
SCHEMBL5578935 0.76 PPARG (0.45) PPARAPPARDPPARG
SCHEMBL5377399 0.75 PPARA (0.68) PPARAPPARDPPARG
SCHEMBL5394941 0.75 PPARA (0.68) PPARAPPARDPPARG
SCHEMBL5037444 0.71 PIN1 (0.45) KDM4EGAASMN1; SMN2
SCHEMBL5037447 0.71 PIN1 (0.45) KDM4EGAASMN1; SMN2
SCHEMBL16933420 0.70 POLB (0.46) KDM4ESMN1; SMN2
SCHEMBL28421404 0.70 PIN1 (0.50) PPARASMN1; SMN2
SCHEMBL5385890 0.70 PPARA (0.50) PPARAPPARDPPARG

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-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed