SCHEMBL6496320

SCHEMBL6496320

CC(C)Oc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2OC2CCCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PPARA Q07869 13/20 0.40
PPARG P37231 10/20 0.40
PPARD Q03181 9/20 0.40
PTGDR Q13258 1/20 0.39
EPHX2 P34913 3/20 0.38
NR1H4 Q96RI1 1/20 0.37

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 0.96 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6503062 0.94 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6505838 0.92 PPARA (0.41) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6502930 0.91 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL6506584 0.91 PPARA (0.46) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6505285 0.90 PPARA (0.43) PPARAPPARGPPARDEPHX2NR1H4
SCHEMBL6505315 0.88 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL6503712 0.88 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6502859 0.84 S1PR3 (0.36) PPARAPPARGPPARDEPHX2
SCHEMBL6494217 0.84 S1PR3 (0.36) PDE4APDE4BPDE4CPDE4DPPARA

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