SCHEMBL6544110

SCHEMBL6544110

O=C(O)COc1cccc(CN(Cc2ccc(Cl)cc2)c2nc3ccccc3o2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.73
PPARD Q03181 17/20 0.55
PPARG P37231 14/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL6543511 0.91 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL6543486 0.90 PPARA (0.73) PPARAPPARDPPARG
SCHEMBL6543159 0.90 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL6543506 0.89 PPARA (0.71) PPARAPPARDPPARG
SCHEMBL6542916 0.86 PPARA (0.68) PPARAPPARDPPARG
SCHEMBL6544246 0.86 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL6544029 0.85 PPARA (0.73) PPARAPPARDPPARG
SCHEMBL14583362 0.85 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6544147 0.85 PPARA (0.86) PPARAPPARDPPARG
SCHEMBL2437112 0.84 PPARA (0.75) 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-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed