SCHEMBL5201664

SCHEMBL5201664

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
FDFT1 P37268 2/20 0.37
TSPO P30536 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
WDR5 P61964 1/20 0.34
ALOX15 P16050 1/20 0.34
MDM2 Q00987 1/20 0.33
SCD O00767 1/20 0.33
GLS O94925 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
SCHEMBL5203510 0.92 PPARG (0.39) TSHRSMN1; SMN2PPARGPPARDPPARA
SCHEMBL5208124 0.92 PPARG (0.40) TSHRSMN1; SMN2PPARGPPARDPPARA
SCHEMBL5206426 0.90 PPARG (0.38) TSHRSMN1; SMN2PPARGPPARDPPARA
SCHEMBL5205259 0.88 PPARG (0.38) PPARGPPARDPPARAFDFT1TSPO
SCHEMBL5202269 0.86 ALDH1A1 (0.39) TSHRSMN1; SMN2PPARGPPARDPPARA
SCHEMBL5205377 0.83 PPARG (0.40) PPARGPPARDPPARAFDFT1TSPO
SCHEMBL5205381 0.83 HDAC1 (0.41) PPARGPPARDPPARAFDFT1TSPO
SCHEMBL5201675 0.80 PPARG (0.40) PPARGPPARDPPARATSPOANO1
SCHEMBL5208608 0.80 PPARG (0.38) PPARGPPARDPPARAANO1ALOX15
SCHEMBL5205929 0.79 PPARG (0.40) PPARGPPARDPPARATSPOALOX15

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