SCHEMBL6505838

SCHEMBL6505838

CC(C)OC(Cc1ccc(OC2CCCC2)c(CNC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.41
PPARD Q03181 6/20 0.41
PPARG P37231 6/20 0.41
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2J2 P51589 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 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
SCHEMBL6503457 0.92 PDE4A (0.42) PPARAPPARDPPARGPDE4APDE4B
SCHEMBL6496320 0.92 PDE4A (0.42) PPARAPPARDPPARGPDE4APDE4B
SCHEMBL6502930 0.88 PPARG (0.42) PPARAPPARDPPARG
SCHEMBL6506584 0.88 PPARA (0.46) PPARAPPARDPPARGPDE4APDE4B
SCHEMBL6503062 0.88 PDE4A (0.40) PPARAPPARDPPARGPDE4APDE4B
SCHEMBL6494267 0.88 PPARA (0.44) PPARAPPARDPPARGPOLBLMNA
SCHEMBL6060870 0.88 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060873 0.88 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6498853 0.86 PPARA (0.47) PPARAPPARDPPARGNPC1POLB
SCHEMBL6505315 0.85 PPARG (0.46) PPARAPPARDPPARG

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