SCHEMBL3972600

SCHEMBL3972600

CC(C)(C)OC(=O)C(C)(Cc1ccccc1)OCC1CCC[C@H](O[C@@H]2CCCCO2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
OXTR P30559 2/20 0.32
AVPR1A P37288 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MGLL Q99685 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
REN P00797 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
EP300 Q09472 1/20 0.31

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
SCHEMBL1929323 1.00 KMT2A (0.35) KMT2AL3MBTL1MEN1JAK2JAK1
SCHEMBL1929328 1.00 KMT2A (0.35) KMT2AL3MBTL1MEN1JAK2JAK1
Lithium Ion SCHEMBL3976544 0.93 KMT2A (0.31) KMT2AL3MBTL1MEN1REN
SCHEMBL1929764 0.91 PPARG (0.38) KMT2AMEN1OXTRAVPR1APPARG
SCHEMBL1929765 0.91 PPARG (0.38) KMT2AMEN1OXTRAVPR1APPARG
SCHEMBL1928906 0.81
SCHEMBL1928902 0.81
SCHEMBL1930342 0.81
SCHEMBL1930338 0.81
SCHEMBL1929222 0.80 KMT2A (0.40) KMT2AL3MBTL1JAK2JAK1PPARG

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
EP-1778655-B1 2 - { - 3 2 - (PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYLMETHOXY}-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDS (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed