SCHEMBL6504364

SCHEMBL6504364

COc1ccc(COCc2cc(CC(OC(C)C)C(=O)O)ccc2OC)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.40
PPARA Q07869 9/20 0.40
PPARD Q03181 7/20 0.40
HSD17B10 Q99714 1/20 0.39
LDHA P00338 1/20 0.39
MMP1 P03956 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6496306 0.91 ADRB2 (0.45) PPARGPPARAPPARDLDHAMMP1
SCHEMBL6507864 0.86 MMP1 (0.45) PPARGPPARAPPARDLDHAMMP1
SCHEMBL6494660 0.86 LDHA (0.41) PPARGPPARAPPARDLDHAMMP1
SCHEMBL6497495 0.85 PPARA (0.42) PPARGPPARAPPARDLDHAMMP1
SCHEMBL6505581 0.84 LDHA (0.45) PPARGPPARAPPARDLDHAMMP1
SCHEMBL7686808 0.83 PPARA (0.44) PPARGPPARAPPARDLDHAMMP1
SCHEMBL6497041 0.83 PPARA (0.50) PPARGPPARAPPARDLDHAMMP1
SCHEMBL6505336 0.83 PPARA (0.53) PPARGPPARAPPARDMMP1
SCHEMBL6494274 0.81 PPARA (0.51) PPARGPPARAPPARDALDH1A1GAA
SCHEMBL6497980 0.79 PPARA (0.54) PPARGPPARAPPARDMMP1

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed