SCHEMBL4666261

SCHEMBL4666261

CCC(CC(=O)O)c1ccc(OCCOC)cc1OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.40
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HIF1A Q16665 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AGER Q15109 1/20 0.37
ERBB2 P04626 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MET P08581 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL4666693 0.78 FFAR1 (0.48) FFAR1KDM4EMETKMT2A
SCHEMBL4666259 0.78 PPARG (0.42) FFAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL3202842 0.74 HDAC8 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3202826 0.74 HDAC8 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4632439 0.72 PDE4D (0.42) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL3217512 0.71 BRD4 (0.41) FFAR1PDE4BALDH1A1TDP1ERBB2
SCHEMBL27716262 0.71 FDPS (0.43) PDE4BALDH1A1ERBB2
SCHEMBL4666766 0.70 TAS1R3 (0.41) FFAR1
SCHEMBL3213102 0.70 CNR1 (0.38) FFAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL3211241 0.69 PARP15 (0.36) FFAR1PDE4APDE4BPDE4CPDE4D

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