SCHEMBL4602019

SCHEMBL4602019

COCCOc1ccc(CCCS(=O)(=O)NCCOc2ccccc2)c(OCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
NPSR1 Q6W5P4 1/20 0.39
SLC6A9 P48067 2/20 0.39
MTNR1A P48039 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DUT P33316 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.36
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4634146 0.88 PPARG (0.46) PPARGMTNR1ACNR1CNR2DUT
SCHEMBL4601397 0.88 PPARG (0.41) PPARGCNR1CNR2DUT
SCHEMBL4602109 0.88 GPR84 (0.43) PPARGMEN1HTTKMT2AHPGD
SCHEMBL4600676 0.87 PPARG (0.44) PPARGMTNR1ACNR1CNR2TDP1
SCHEMBL4602971 0.84 PPARG (0.41) PPARGDUTALDH1A1HTTKMT2A
SCHEMBL4601014 0.81 GPR84 (0.42) PPARGMEN1KMT2A
SCHEMBL4600593 0.78 PPARG (0.43) PPARGTDP1ALDH1A1MEN1HTT
SCHEMBL4602137 0.77 PPARG (0.41) PPARGTDP1
SCHEMBL27737205 0.76 PPARG (0.43) PPARGSLC6A9MTNR1ACNR1CNR2
SCHEMBL27716279 0.76 PPARG (0.44) PPARGMTNR1ACNR1CNR2ALDH1A1

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