SCHEMBL4666259

SCHEMBL4666259

CCC(Cc1ccc(OCCOC)cc1OC1CCCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.42
PPARA Q07869 6/20 0.42
PPARD Q03181 5/20 0.42
TPH1 P17752 1/20 0.41
EPHX2 P34913 5/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HIF1A Q16665 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FFAR1 O14842 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
SCHEMBL4666690 0.78 PPARA (0.54) PPARGPPARAPPARDEPHX2PTGES
SCHEMBL4666261 0.78 FFAR1 (0.40) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL3217512 0.78 BRD4 (0.41) PDE4BPARP15PARP10FFAR1
SCHEMBL3213102 0.76 CNR1 (0.38) PPARGPPARAPPARDEPHX2PDE4A
SCHEMBL3211241 0.76 PARP15 (0.36) PPARGPPARAPPARDEPHX2PDE4A
SCHEMBL3202842 0.74 HDAC8 (0.43) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL3202826 0.74 HDAC8 (0.43) PPARGPDE4APDE4BPDE4CPDE4D
SCHEMBL4632439 0.72 PDE4D (0.42) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL27716262 0.71 FDPS (0.43) PPARGPDE4B
SCHEMBL3217588 0.71 PPARG (0.59) PPARG

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed