SCHEMBL6544258

SCHEMBL6544258

CCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)c1nc2ccccc2o1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.83
PPARG P37231 16/20 0.83
PPARD Q03181 14/20 0.83
CXCR4 P61073 1/20 0.53
CMKLR1 Q99788 1/20 0.53

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
SCHEMBL6543891 0.99 PPARA (0.84) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6543456 0.99 PPARA (0.84) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6543468 0.99 PPARA (0.84) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6544018 0.97 PPARA (0.78) PPARAPPARGPPARDCXCR4CMKLR1
SCHEMBL6544126 0.94 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL6543339 0.91 PPARG (0.98) PPARAPPARGPPARD
SCHEMBL6543064 0.91 PPARG (0.91) PPARAPPARGPPARD
SCHEMBL6544130 0.91 PPARG (0.93) PPARAPPARGPPARD
SCHEMBL6542962 0.91 PPARG (0.93) PPARAPPARGPPARD
SCHEMBL6542972 0.91 PPARG (1.00) 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