SCHEMBL5225898

SCHEMBL5225898

COc1oc(-c2cccs2)nc1CCOc1ccc(CN(CC(=O)O)[S+]([O-])N2CCCc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.43
PPARG P37231 16/20 0.43
PPARD Q03181 3/20 0.43
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5225901 0.84 PPARA (0.41) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5229122 0.81 PPARA (0.55) PPARAPPARG
SCHEMBL5428687 0.78 PPARA (0.42) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL14361086 0.76 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL5228263 0.74 PPARA (0.54) PPARAPPARG
SCHEMBL5441048 0.73 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL5269968 0.73 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL5224845 0.72 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL5256113 0.72 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL5227383 0.71 PPARG (0.53) PPARAPPARGPPARD

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-1778654-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME Crystalgenomics, Inc. (KR) 2007-05-02 EP disclosed
WO-2006006832-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME CRYSTALGENOMICS, INC. (KR) 2006-01-19 WO disclosed