SCHEMBL5206426

SCHEMBL5206426

CCOC(=O)CCC(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSPO P30536 1/20 0.38
FDFT1 P37268 5/20 0.37
REN P00797 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGER1 P34995 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL5201664 0.90 TSHR (0.43) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5203510 0.89 PPARG (0.39) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5205259 0.85 PPARG (0.38) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5208124 0.81 PPARG (0.40) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5205377 0.80 PPARG (0.40) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5205381 0.80 HDAC1 (0.41) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5201675 0.80 PPARG (0.40) PPARGPPARDPPARATSPOANO1
SCHEMBL5207965 0.79 PPARG (0.40) PPARGPPARDPPARATSPOCYP2C9
SCHEMBL5205929 0.79 PPARG (0.40) PPARGPPARDPPARATSPOALOX15
SCHEMBL5208608 0.78 PPARG (0.38) PPARGPPARDPPARAANO1ALOX15

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