Sugi Predict

Sugi Predict / Compounds / SCHEMBL4601916

SCHEMBL4601916

SCHEMBL4601916

CC(C)Oc1ccc(CCCS(=O)(=O)NCCOc2ccccc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 19/20 0.65
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4601300 0.92 PPARG (0.67) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4603487 0.90 PPARG (0.79) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601753 0.87 PPARG (0.76) PPARG
SCHEMBL4601519 0.85 PPARG (0.68) PPARG
SCHEMBL4601497 0.85 PPARG (0.79) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600064 0.84 PPARG (0.80) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601654 0.84 PPARG (0.70) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600932 0.83 PPARG (0.78) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3213187 0.83 PPARG (0.82) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4602662 0.83 PPARG (0.64) PPARG

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