SCHEMBL5203547

SCHEMBL5203547

CCOC(=O)CCCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
ALOX15 P16050 1/20 0.34
IDH1 O75874 2/20 0.33
MMP13 P45452 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
PTPRB P23467 1/20 0.32
P2RX4 Q99571 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GLS O94925 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
HSP90AA1 P07900 1/20 0.32
EPHX2 P34913 2/20 0.31
NR1H4 Q96RI1 2/20 0.31

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
SCHEMBL5208594 0.91 PPARG (0.37) PPARGPPARDPPARAALOX15MMP13
SCHEMBL5205929 0.89 PPARG (0.40) PPARGPPARDPPARAALOX15MMP13
SCHEMBL5207965 0.88 PPARG (0.40) PPARGPPARDPPARAMMP13HPGD
SCHEMBL5208601 0.87 PPARG (0.39) PPARGPPARDPPARAPTGDR2MMP13
SCHEMBL5202450 0.86 PPARG (0.36) PPARGPPARDPPARAALOX15MMP13
SCHEMBL5201675 0.85 PPARG (0.40) PPARGPPARDPPARAPTGDR2ANO1
SCHEMBL5208608 0.83 PPARG (0.38) PPARGPPARDPPARAALOX15MMP13
SCHEMBL5202922 0.83 PPARG (0.37) PPARGPPARDPPARAMMP13HPGD
SCHEMBL5206135 0.82 PPARG (0.39) PPARGPPARDPPARAPTGDR2HPGD
SCHEMBL5208141 0.82 PPARG (0.36) PPARGPPARDPPARAALOX15ANO1

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