SCHEMBL6543550

SCHEMBL6543550

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
FBP1 P09467 1/20 0.38
CYP3A4 P08684 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
VNN1 O95497 1/20 0.33
CTBP2 P56545 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM2 Q14416 1/20 0.33

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 0.89 PPARA (0.58) PPARAPPARGFBP1CYP3A4TSHR
SCHEMBL6542904 0.87 PPARG (0.53) PPARAPPARG
SCHEMBL2437277 0.84 ADRB2 (0.47) PPARAPPARGFBP1CYP3A4KDM4E
SCHEMBL1550516 0.80 PPARA (0.49) PPARAPPARGFBP1CTBP2
SCHEMBL6543605 0.79 PPARA (0.48) PPARAPPARGFBP1VNN1CTBP2
SCHEMBL2440054 0.74 PPARA (0.61) PPARAPPARGFBP1CYP3A4L3MBTL1
SCHEMBL6543060 0.74 PPARA (0.54) PPARAPPARGFBP1
SCHEMBL2439051 0.73 PPARA (0.53) PPARAPPARG
SCHEMBL31011750 0.73 SRC (0.44) CYP3A4POLBKDM4ENPC1RAB9A
SCHEMBL2440291 0.73 PPARA (0.59) PPARAPPARG

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 1 patent. 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