SCHEMBL6497495

SCHEMBL6497495

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.42
PPARG P37231 14/20 0.42
LDHA P00338 1/20 0.41
MMP1 P03956 2/20 0.41
PPARD Q03181 7/20 0.41
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6505336 0.90 PPARA (0.53) PPARAPPARGMMP1PPARD
SCHEMBL7686808 0.88 PPARA (0.44) PPARAPPARGLDHAMMP1PPARD
SCHEMBL6497980 0.85 PPARA (0.54) PPARAPPARGMMP1PPARD
SCHEMBL6504364 0.85 PPARG (0.40) PPARAPPARGLDHAMMP1PPARD
SCHEMBL6505581 0.84 LDHA (0.45) PPARAPPARGLDHAMMP1PPARD
SCHEMBL6494660 0.84 LDHA (0.41) PPARAPPARGLDHAMMP1PPARD
SCHEMBL6507864 0.82 MMP1 (0.45) PPARAPPARGLDHAMMP1PPARD
SCHEMBL6503394 0.82 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6496306 0.81 ADRB2 (0.45) PPARAPPARGLDHAMMP1PPARD
SCHEMBL6497502 0.81 LDHA (0.50) PPARAPPARGLDHAMMP1PPARD

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed