SCHEMBL6543540

SCHEMBL6543540

CC(CCNCc1ccc(OC(C)(C)C(=O)O)cc1)Cc1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.49
PPARG P37231 11/20 0.47
PPARD Q03181 5/20 0.47
ADRB3 P13945 3/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 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
SCHEMBL6543988 0.95 PPARA (0.48) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544269 0.92 ADRB3 (0.51) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6542989 0.90 PPARG (0.51) PPARAPPARGPPARDTP53
SCHEMBL6544142 0.90 PPARG (0.51) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544270 0.87 PPARA (0.54) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544132 0.85 PPARA (0.54) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6543100 0.84 PPARG (0.53) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544023 0.84 PPARA (0.54) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544261 0.83 PPARA (0.55) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544255 0.83 PPARG (0.55) PPARAPPARGPPARD

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