SCHEMBL4600783

SCHEMBL4600783

COCCOc1ccc(/C=C/CS(=O)(=O)NCCc2ccccn2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.56
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4603139 0.91 PPARG (0.58) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600852 0.87 PPARG (0.65) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4600892 0.84 PPARG (0.75) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601653 0.78 PPARG (0.71) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3209350 0.77 PPARG (0.76) PPARG
SCHEMBL3209360 0.77 PPARG (0.76) PPARG
SCHEMBL3198886 0.77 PPARG (0.62) PPARG
SCHEMBL3208225 0.77 PPARG (0.60) PPARG
SCHEMBL3208210 0.77 PPARG (0.60) PPARG
SCHEMBL3198900 0.77 PPARG (0.62) 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