SCHEMBL5202903

SCHEMBL5202903

CCOC(=O)CCCCNc1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
GLS O94925 1/20 0.39
EPHX2 P34913 3/20 0.38
CYP3A4 P08684 1/20 0.38
FAAH O00519 1/20 0.37
MMP13 P45452 1/20 0.37
BRD4 O60885 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5208682 0.99 PPARG (0.39) PPARGPPARDPPARAANO1GLS
SCHEMBL5205312 0.97 PPARG (0.40) PPARGPPARDPPARAANO1GLS
SCHEMBL5205300 0.94 PPARG (0.41) PPARGPPARDPPARAANO1GLS
SCHEMBL5202388 0.90 CNR1 (0.40) EPHX2BRD4
SCHEMBL5205860 0.89 PPARG (0.42) PPARGPPARDPPARAANO1GLS
SCHEMBL5202191 0.87 PPARG (0.42) PPARGPPARDPPARAANO1GLS
SCHEMBL5206633 0.83 KDM4E (0.40) EPHX2BRD4ALDH1A1
SCHEMBL5206639 0.83 KDM4E (0.36) EPHX2CYP3A4BRD4
SCHEMBL5208051 0.81 MEN1 (0.41) CYP3A4ALDH1A1HTTSMN1; SMN2
SCHEMBL5202385 0.81 MEN1 (0.41) CYP3A4ALDH1A1HTTSMN1; SMN2

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