SCHEMBL4602789

SCHEMBL4602789

COCCOc1ccc(CN(C2CCCCCC2)S(=O)(=O)OC(N)=O)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.55
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4600015 1.00 PPARG (0.55) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601288 0.99 PPARG (0.55) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4615327 0.90 PPARG (0.56) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4615259 0.87 PPARG (0.52) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601293 0.86 PPARG (0.54) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601769 0.86 PPARG (0.58) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601962 0.86 PPARG (0.58) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601402 0.84 PPARG (0.56) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601809 0.83 PPARG (0.60) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601583 0.83 PPARG (0.63) 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