SCHEMBL5203510

SCHEMBL5203510

CCOC(=O)CCC(=O)N(Cc1ccc(O)cc1)c1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
TSPO P30536 1/20 0.35
GAA P10253 1/20 0.35
MDM2 Q00987 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
FDFT1 P37268 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLS O94925 1/20 0.33
FAAH O00519 1/20 0.33
CACNA1B Q00975 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 0.92 TSHR (0.43) PPARGPPARDPPARATSPOMDM2
SCHEMBL5205377 0.92 PPARG (0.40) PPARGPPARDPPARATSPOGAA
SCHEMBL5205259 0.90 PPARG (0.38) PPARGPPARDPPARATSPOMDM2
SCHEMBL5206426 0.89 PPARG (0.38) PPARGPPARDPPARATSPOMDM2
SCHEMBL5204994 0.86 ALDH1A1 (0.40) PPARGPPARDPPARATSPOGAA
SCHEMBL5205381 0.85 HDAC1 (0.41) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5208124 0.83 PPARG (0.40) PPARGPPARDPPARATSPOFDFT1
SCHEMBL5202825 0.81 HDAC1 (0.44) PPARGPPARDPPARAGLS
SCHEMBL5201675 0.80 PPARG (0.40) PPARGPPARDPPARATSPOMDM2
SCHEMBL5208608 0.80 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