SCHEMBL6495628

SCHEMBL6495628

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)C(C)=Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.45
PPARD Q03181 13/20 0.45
PPARG P37231 10/20 0.43
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 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
SCHEMBL6495621 1.00 PPARA (0.45) PPARAPPARDPPARGKMT2AMMP1
SCHEMBL6496109 0.93 PPARA (0.42) PPARAPPARDPPARGKMT2AMMP1
SCHEMBL6496110 0.93 PPARA (0.42) PPARAPPARDPPARGKMT2AMMP1
SCHEMBL6504226 0.91 PPARA (0.44) PPARAPPARDPPARGMMP1MAPT
SCHEMBL6504220 0.91 PPARA (0.44) PPARAPPARDPPARGMMP1MAPT
SCHEMBL6503985 0.90 PPARA (0.46) PPARAPPARDPPARGKMT2AMMP1
SCHEMBL6503992 0.90 PPARA (0.46) PPARAPPARDPPARGKMT2AMMP1
SCHEMBL6497593 0.88 PPARA (0.48) PPARAPPARDPPARGMMP1POLB
SCHEMBL6497586 0.88 PPARA (0.48) PPARAPPARDPPARGMMP1POLB
SCHEMBL6502801 0.88 PPARA (0.46) PPARAPPARDPPARGKMT2AMMP1

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