SCHEMBL6497041

SCHEMBL6497041

COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.50
PPARG P37231 9/20 0.50
MMP1 P03956 3/20 0.43
PPARD Q03181 5/20 0.39
ADRB2 P07550 1/20 0.39
LDHA P00338 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL6507864 0.91 MMP1 (0.45) PPARAPPARGMMP1PPARDADRB2
SCHEMBL6496306 0.90 ADRB2 (0.45) PPARAPPARGMMP1PPARDADRB2
SCHEMBL6494999 0.87 PPARA (0.50) PPARAPPARGMMP1PPARD
SCHEMBL6505581 0.83 LDHA (0.45) PPARAPPARGMMP1PPARDLDHA
SCHEMBL6504364 0.83 PPARG (0.40) PPARAPPARGMMP1PPARDLDHA
SCHEMBL6494660 0.83 LDHA (0.41) PPARAPPARGMMP1PPARDADRB2
SCHEMBL7686808 0.83 PPARA (0.44) PPARAPPARGMMP1PPARDLDHA
SCHEMBL6496012 0.81 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6497980 0.80 PPARA (0.54) PPARAPPARGMMP1PPARD
SCHEMBL6497495 0.80 PPARA (0.42) PPARAPPARGMMP1PPARDLDHA

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