SCHEMBL4600575

SCHEMBL4600575

CCCN(C(=O)Oc1c(OCCOC)cccc1Oc1ncc(Cl)cc1Cl)S(=O)(=O)NCCOC(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.40
LIPE Q05469 2/20 0.37
BCHE P06276 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR2 P41597 1/20 0.34
CCR4 P51679 1/20 0.34
SCN5A Q14524 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33

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
SCHEMBL4601910 0.91 PPARG (0.45) PPARG
SCHEMBL4601368 0.84 PPARG (0.42) PPARGLIPECYP3A4CYP2C19
SCHEMBL4603253 0.80 PPARG (0.47) PPARGLIPE
SCHEMBL4602114 0.80 PPARG (0.46) PPARG
SCHEMBL4603015 0.78 PPARG (0.45) PPARG
SCHEMBL4600570 0.74 PPARG (0.48) PPARGLIPEBCHEL3MBTL1
SCHEMBL4601766 0.72 ALDH1A1 (0.51) PPARG
SCHEMBL4601414 0.72 EGFR (0.44) PPARGLIPEBCHEL3MBTL1CYP2C9
SCHEMBL4602508 0.71 PDE4A (0.40) BCHEL3MBTL1
SCHEMBL4601430 0.68 SCN9A (0.38) SCN9A

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