SCHEMBL2437789

SCHEMBL2437789

CCOC(=O)CCc1cccc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.65
PPARG P37231 10/20 0.65
CYP4F2 P78329 4/20 0.47
CYP4A11 Q02928 4/20 0.47
PPARD Q03181 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
FBP1 P09467 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
SCHEMBL2440054 0.86 PPARA (0.61) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL3939774 0.84 PPARA (0.51) PPARAPPARGCYP4F2CYP4A11
SCHEMBL9167497 0.81 FFAR1 (0.56) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL10444982 0.81 PPARA (0.61) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL1802183 0.81 ALDH1A1 (0.56) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL3840661 0.81 PPARG (0.71) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL17274722 0.81 PPARA (0.80) PPARAPPARGCYP4F2CYP4A11FBP1
SCHEMBL4425984 0.80 CYP4F2 (0.64) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL3848011 0.80 PPARA (0.69) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL4034371 0.80 PPARA (0.69) PPARAPPARGCYP4F2CYP4A11PPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed
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