SCHEMBL6502803

SCHEMBL6502803

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)C(C)=Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.46
PPARD Q03181 12/20 0.46
PPARG P37231 9/20 0.44
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL6502801 1.00 PPARA (0.46) PPARAPPARDPPARGMAPTMEN1
SCHEMBL6503985 0.89 PPARA (0.46) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL6503992 0.89 PPARA (0.46) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL6495628 0.88 PPARA (0.45) PPARAPPARDPPARGMAPTKMT2A
SCHEMBL6495621 0.88 PPARA (0.45) PPARAPPARDPPARGMAPTKMT2A
SCHEMBL6497593 0.87 PPARA (0.48) PPARAPPARDPPARGMMP1
SCHEMBL6497586 0.87 PPARA (0.48) PPARAPPARDPPARGMMP1
SCHEMBL6506175 0.87 MMP1 (0.44) PPARAPPARDPPARGMMP1
SCHEMBL6506180 0.87 MMP1 (0.44) PPARAPPARDPPARGMMP1
SCHEMBL6496109 0.87 PPARA (0.42) PPARAPPARDPPARGHPGDKMT2A

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