SCHEMBL6542809

SCHEMBL6542809

CCCCCCCCN(Cc1ccccc1OC(C)(C)C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.67
PPARG P37231 15/20 0.67
PPARD Q03181 11/20 0.67
CXCR4 P61073 1/20 0.44
CMKLR1 Q99788 1/20 0.44

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
SCHEMBL6542928 0.92 PPARG (0.74) PPARAPPARGPPARD
SCHEMBL2469118 0.92 PPARG (0.71) PPARAPPARGPPARD
SCHEMBL14583412 0.86 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL6543916 0.86 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6543456 0.85 PPARA (0.84) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6543468 0.85 PPARA (0.84) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6543891 0.85 PPARA (0.84) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6543411 0.85 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL6544104 0.85 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6543006 0.84 PPARA (0.56) 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