SCHEMBL5208124

SCHEMBL5208124

CC(C)(C)OC(=O)NCc1cccc(Oc2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C(=O)CCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FDFT1 P37268 2/20 0.38
TSPO P30536 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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) PPARGPPARDPPARATSHRSMN1; SMN2
SCHEMBL5205377 0.92 PPARG (0.40) PPARGPPARDPPARAFDFT1TSPO
SCHEMBL5205381 0.91 HDAC1 (0.41) PPARGPPARDPPARAFDFT1TSPO
SCHEMBL5202269 0.88 ALDH1A1 (0.39) PPARGPPARDPPARATSHRSMN1; SMN2
SCHEMBL5208677 0.83 NR3C1 (0.41) SMN1; SMN2FDFT1TSPOKMT2A
SCHEMBL5203510 0.83 PPARG (0.39) PPARGPPARDPPARATSHRSMN1; SMN2
SCHEMBL5208118 0.82 FDFT1 (0.39) TSHRFDFT1TSPOMEN1KMT2A
SCHEMBL5202825 0.82 HDAC1 (0.44) PPARGPPARDPPARA
SCHEMBL5208000 0.82 HDAC1 (0.44) TSPO
SCHEMBL5206426 0.81 PPARG (0.38) PPARGPPARDPPARATSHRSMN1; 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