SCHEMBL6176779

SCHEMBL6176779

CC(C)(C)[Si](C)(C)Oc1ccc(CNc2ccc(Cl)cc2Oc2cccc(CNC(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
ANO1 Q5XXA6 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
AKR1C3 P42330 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5205229 0.86 PTGDR2 (0.37) PPARGPPARDPPARAMRGPRX4PTGDR2
SCHEMBL5206113 0.83 ADAMTS5 (0.48) PPARGPPARDPPARAANO1MRGPRX4
SCHEMBL7834257 0.82 MRGPRX4 (0.50) PPARGPPARDPPARAANO1MRGPRX4
SCHEMBL25379733 0.78 SMN1; SMN2 (0.46) ALDH1A1HPGDHTT
SCHEMBL5205234 0.76 TSHR (0.46) PPARGPPARDPPARAANO1MRGPRX4
SCHEMBL5350074 0.73 PPARG (0.51) PPARGPPARDPPARAANO1PTGDR2
SCHEMBL7834277 0.73 FFAR1 (0.44) PPARGFFAR1ALDH1A1GAAL3MBTL1
SCHEMBL5201777 0.73 P2RY1 (0.43) PPARGPPARDPPARAANO1MRGPRX4
SCHEMBL5205774 0.73 ADAMTS5 (0.40) PPARGPPARDPPARAMRGPRX4PTGDR2
SCHEMBL5208318 0.72 HDAC1 (0.43) PTGDR2FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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