SCHEMBL5206331

SCHEMBL5206331

CC(C)(C)OC(=O)NC(C)(C)c1cccc(Oc2cc(Cl)ccc2N(CCCC(=O)O)C(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.37
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
PTGES O14684 2/20 0.35
ALOX5 P09917 2/20 0.35
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 2/20 0.34
HDAC1 Q13547 1/20 0.34
SCN9A Q15858 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
BCL2 P10415 3/20 0.32
LTA4H P09960 1/20 0.32
PTGER4 P35408 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL5208483 0.92 SCN9A (0.36) TSPOPTGESALOX5HDAC1SCN9A
SCHEMBL5204846 0.87 HDAC1 (0.42) TSPOPTGESALOX5FFAR1HDAC1
SCHEMBL5205817 0.86 PTGER4 (0.40) TSPOSCN9APTGER4
SCHEMBL5204784 0.86 PTGER4 (0.40) TSPOSCN9APTGER4
SCHEMBL5205558 0.86 HDAC1 (0.42) TSPOPTGESALOX5FFAR1HDAC1
SCHEMBL5205723 0.85 HDAC1 (0.41) TSPOPTGESALOX5FFAR1HDAC1
SCHEMBL5201617 0.83 HDAC1 (0.44) TSPOPTGESALOX5HDAC1
SCHEMBL5205929 0.80 PPARG (0.40) TSPOPTGESALOX5HDAC1SCN9A
SCHEMBL5206532 0.79 SCN9A (0.39) TSPOSCN9APTGER4
SCHEMBL5204339 0.79 SCN9A (0.39) TSPOSCN9APTGER4

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