SCHEMBL6505336

SCHEMBL6505336

COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.53
PPARG P37231 18/20 0.53
PPARD Q03181 12/20 0.53
MMP1 P03956 1/20 0.44

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
SCHEMBL6497495 0.90 PPARA (0.42) PPARAPPARGPPARDMMP1
SCHEMBL7686808 0.86 PPARA (0.44) PPARAPPARGPPARDMMP1
SCHEMBL6497980 0.84 PPARA (0.54) PPARAPPARGPPARDMMP1
SCHEMBL6504364 0.83 PPARG (0.40) PPARAPPARGPPARDMMP1
SCHEMBL6505581 0.83 LDHA (0.45) PPARAPPARGPPARDMMP1
SCHEMBL6494660 0.82 LDHA (0.41) PPARAPPARGPPARDMMP1
SCHEMBL6507864 0.80 MMP1 (0.45) PPARAPPARGPPARDMMP1
SCHEMBL6496306 0.80 ADRB2 (0.45) PPARAPPARGPPARDMMP1
SCHEMBL4334936 0.80 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6497502 0.79 LDHA (0.50) PPARAPPARGPPARDMMP1

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