SCHEMBL5202450

SCHEMBL5202450

CCOC(=O)CCCN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
BRD4 O60885 2/20 0.34
MMP13 P45452 1/20 0.34
AHCY P23526 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CREBBP Q92793 1/20 0.32
ALOX15 P16050 1/20 0.32
MCHR1 Q99705 1/20 0.32
MDM2 Q00987 1/20 0.32
NAMPT P43490 1/20 0.32
ROCK2 O75116 2/20 0.31
TSPO P30536 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
GLS O94925 1/20 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
SCHEMBL5208141 0.96 PPARG (0.36) PPARGPPARDPPARABRD4AHCY
SCHEMBL5204731 0.90 PPARG (0.39) PPARGPPARDPPARABRD4AHCY
SCHEMBL5205929 0.88 PPARG (0.40) PPARGPPARDPPARABRD4MMP13
SCHEMBL5207965 0.87 PPARG (0.40) PPARGPPARDPPARAMMP13MAPT
SCHEMBL5208601 0.86 PPARG (0.39) PPARGPPARDPPARAMMP13MAPT
SCHEMBL5203547 0.86 PPARG (0.36) PPARGPPARDPPARAMMP13ALOX15
SCHEMBL5208594 0.86 PPARG (0.37) PPARGPPARDPPARABRD4MMP13
SCHEMBL5201675 0.84 PPARG (0.40) PPARGPPARDPPARAMDM2ROCK2
SCHEMBL5208608 0.82 PPARG (0.38) PPARGPPARDPPARAMMP13KDM4E
SCHEMBL5202922 0.80 PPARG (0.37) PPARGPPARDPPARAMMP13KDM4E

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