SCHEMBL5205300

SCHEMBL5205300

CCOC(=O)CCNc1ccc(Cl)cc1Oc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ANO1 Q5XXA6 1/20 0.39
GLS O94925 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL5205312 0.95 PPARG (0.40) PPARGPPARDPPARAANO1GLS
SCHEMBL5202903 0.94 PPARG (0.40) PPARGPPARDPPARAANO1GLS
SCHEMBL5208682 0.93 PPARG (0.39) PPARGPPARDPPARAANO1GLS
SCHEMBL5205860 0.91 PPARG (0.42) PPARGPPARDPPARAANO1GLS
SCHEMBL5202388 0.87 CNR1 (0.40) MEN1KMT2AKDM4E
SCHEMBL5202191 0.86 PPARG (0.42) PPARGPPARDPPARAANO1GLS
SCHEMBL5205234 0.82 TSHR (0.46) PPARGPPARDPPARAANO1SMN1; SMN2
SCHEMBL5208884 0.81 KDM4E (0.41) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5206639 0.80 KDM4E (0.36) MEN1KMT2AIDO1KDM4E
SCHEMBL5206633 0.80 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EGAA

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