SCHEMBL4601368

SCHEMBL4601368

CCCN(C(=O)Oc1c(OCCO)cccc1Oc1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)NCCOC(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
LIPE Q05469 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4601910 0.94 PPARG (0.45) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4600575 0.84 PPARG (0.40) PPARGLIPECYP3A4CYP2C19
SCHEMBL4602114 0.83 PPARG (0.46) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4603253 0.83 PPARG (0.47) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4603015 0.81 PPARG (0.45) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4601766 0.76 ALDH1A1 (0.51) PPARGALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4601365 0.76 PPARG (0.53) PPARGALDH1A1LMNAHTTSMN1; SMN2
Water SCHEMBL4601371 0.73 HPGD (0.48) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4601375 0.70 PPARG (0.41) PPARG
SCHEMBL4524825 0.69 PPARG (0.61) PPARGALDH1A1LMNASMN1; SMN2HPGD

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