SCHEMBL5205860

SCHEMBL5205860

CCOC(=O)CNc1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ANO1 Q5XXA6 1/20 0.40
PPID Q08752 1/20 0.40
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GLS O94925 1/20 0.36
MDM2 Q00987 1/20 0.36
BRD4 O60885 1/20 0.36
FAAH O00519 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
SCHEMBL5205300 0.91 PPARG (0.41) PPARGPPARDPPARAANO1GAA
SCHEMBL5205312 0.90 PPARG (0.40) PPARGPPARDPPARAANO1SMN1; SMN2
SCHEMBL5202903 0.89 PPARG (0.40) PPARGPPARDPPARAANO1SMN1; SMN2
SCHEMBL5208682 0.88 PPARG (0.39) PPARGPPARDPPARAANO1ALOX15
SCHEMBL5205234 0.84 TSHR (0.46) PPARGPPARDPPARAANO1GAA
SCHEMBL5202191 0.82 PPARG (0.42) PPARGPPARDPPARAANO1SMN1; SMN2
SCHEMBL5202388 0.82 CNR1 (0.40) BRD4
SCHEMBL5203510 0.77 PPARG (0.39) PPARGPPARDPPARAANO1GAA
SCHEMBL5201675 0.77 PPARG (0.40) PPARGPPARDPPARAANO1PTGDR2
SCHEMBL5201664 0.76 TSHR (0.43) PPARGPPARDPPARAANO1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed