SCHEMBL4601581

SCHEMBL4601581

CCOCCCNS(=O)(=O)CCCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.83
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL4600034 0.92 PPARG (0.73) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3207108 0.91 PPARG (1.00) PPARG
SCHEMBL4600943 0.91 PPARG (0.83) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4603327 0.91 PPARG (0.82) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600064 0.90 PPARG (0.80) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4603487 0.90 PPARG (0.79) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601947 0.90 PPARG (0.81) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3213187 0.89 PPARG (0.82) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601497 0.89 PPARG (0.79) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4602514 0.89 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