SCHEMBL5202191

SCHEMBL5202191

CC(C)(C)OC(=O)NCc1cccc(Oc2cc(Cl)ccc2NCCCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
FFAR1 O14842 1/20 0.41
ANO1 Q5XXA6 1/20 0.40
GLS O94925 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5205312 0.90 PPARG (0.40) PPARGPPARDPPARAANO1GLS
SCHEMBL5202903 0.87 PPARG (0.40) PPARGPPARDPPARAANO1GLS
SCHEMBL5208682 0.87 PPARG (0.39) PPARGPPARDPPARAANO1GLS
SCHEMBL5205300 0.86 PPARG (0.41) PPARGPPARDPPARAANO1GLS
SCHEMBL5203560 0.85 ALDH1A1 (0.45) ANO1ALDH1A1HTTSMN1; SMN2
SCHEMBL5205234 0.84 TSHR (0.46) PPARGPPARDPPARAANO1PTGDR2
SCHEMBL5205860 0.82 PPARG (0.42) PPARGPPARDPPARAANO1GLS
SCHEMBL5202388 0.82 CNR1 (0.40)
SCHEMBL5208884 0.81 KDM4E (0.41) PPARGPPARDPPARAALDH1A1HTT
SCHEMBL5202185 0.80 NR4A2 (0.39) PPARGFFAR1PTGDR2ALDH1A1

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