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Sugi Predict / Compounds / SCHEMBL4601910

SCHEMBL4601910

SCHEMBL4601910

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 18/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4601368 0.94 PPARG (0.42) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600575 0.91 PPARG (0.40) PPARG
SCHEMBL4603253 0.90 PPARG (0.47) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4602114 0.90 PPARG (0.46) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4603015 0.88 PPARG (0.45) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601766 0.82 ALDH1A1 (0.51) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601375 0.76 PPARG (0.41) PPARG
SCHEMBL4524825 0.76 PPARG (0.61) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4612222 0.74 PPARG (0.58) PPARG
SCHEMBL4600789 0.74 HPGD (0.48) PPARGALDH1A1LMNAHPGDSMN1; SMN2

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