SCHEMBL6542904

SCHEMBL6542904

C=CCOC(=O)Cc1cccc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.53
PPARA Q07869 12/20 0.53
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
PPARD Q03181 4/20 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
SCHEMBL6544041 0.87 PPARA (0.58) PPARGPPARA
SCHEMBL6543550 0.87 PPARA (0.45) PPARGPPARA
SCHEMBL5795465 0.84 ALDH1A1 (0.56) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL2434754 0.82 ADRB2 (0.47) PPARGPPARAPPARD
SCHEMBL5795203 0.80 PPARG (0.64) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL7248386 0.78 PPARG (0.61) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL11215916 0.78 PPARG (0.61) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL31011750 0.76 SRC (0.44)
SCHEMBL203679 0.75 ALDH1A1 (0.61)
SCHEMBL27609022 0.75 CYP3A4 (0.49)

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