SCHEMBL6505645

SCHEMBL6505645

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.55
PPARG P37231 13/20 0.55
PPARD Q03181 13/20 0.55
MMP1 P03956 1/20 0.48

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
SCHEMBL6493850 0.90 PPARA (0.50) PPARAPPARGPPARDMMP1
SCHEMBL4334772 0.88 PPARA (0.59) PPARAPPARGPPARDMMP1
SCHEMBL4335128 0.84 PPARA (0.54) PPARAPPARGPPARDMMP1
SCHEMBL6495524 0.84 PPARA (0.76) PPARAPPARGPPARD
SCHEMBL6497980 0.83 PPARA (0.54) PPARAPPARGPPARDMMP1
SCHEMBL6502352 0.81 PPARA (0.79) PPARAPPARGPPARD
SCHEMBL4336292 0.80 PPARA (0.58) PPARAPPARGPPARDMMP1
SCHEMBL4338925 0.80 PPARG (0.55) PPARAPPARGPPARD
SCHEMBL4341834 0.79 PPARA (0.53) PPARAPPARGPPARDMMP1
SCHEMBL6495040 0.79 PPARA (0.62) PPARAPPARGPPARD

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