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SCHEMBL4601766

SCHEMBL4601766

C=CCN(C(=O)Oc1c(OCCOC)cccc1Oc1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)NCCCOC

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PPARG P37231 18/20 0.46
▸ HTT P42858 1/20 0.41

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 0.82 PPARG (0.45) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4602114 0.82 PPARG (0.46) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4603253 0.82 PPARG (0.47) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4603015 0.80 PPARG (0.45) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4600789 0.79 HPGD (0.48) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4601003 0.78 HPGD (0.48) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4601368 0.76 PPARG (0.42) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
SCHEMBL4600575 0.72 PPARG (0.40) PPARG
SCHEMBL4602102 0.72 HPGD (0.49) ALDH1A1LMNAHPGDSMN1; SMN2PPARG
Water SCHEMBL4601371 0.71 HPGD (0.48) ALDH1A1LMNAHPGDSMN1; SMN2PPARG

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