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Sugi Predict / Compounds / SCHEMBL4601654

SCHEMBL4601654

SCHEMBL4601654

COCOc1ccc(CCCS(=O)(=O)NCCOC(C)C)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 19/20 0.70
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4601452 0.95 PPARG (0.65) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601497 0.94 PPARG (0.79) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601753 0.92 PPARG (0.76) PPARG
SCHEMBL4601300 0.91 PPARG (0.67) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600064 0.91 PPARG (0.80) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601519 0.91 PPARG (0.68) PPARG
SCHEMBL4602662 0.89 PPARG (0.64) PPARG
SCHEMBL4600648 0.89 PPARG (0.74) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601118 0.86 PPARG (0.60) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4602514 0.86 PPARG (0.79) 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