SCHEMBL6544041

SCHEMBL6544041

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.58
PPARG P37231 5/20 0.58
FBP1 P09467 9/20 0.50
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
GRM2 Q14416 1/20 0.42
F10 P00742 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL6543550 0.89 PPARA (0.45) PPARAPPARGFBP1CYP3A4TSHR
SCHEMBL6542904 0.87 PPARG (0.53) PPARAPPARG
SCHEMBL6081371 0.84 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL6081046 0.82 PPARA (0.67) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL6543477 0.81 PPARA (0.66) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL21188241 0.79 PPARA (0.67) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL6093013 0.79 PPARA (0.70) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL14291406 0.78 PPARA (0.69) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL1549446 0.78 PPARA (0.69) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL6091395 0.78 PPARA (0.69) PPARAPPARGFBP1ABCB11CYP1A2

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