SCHEMBL5268151

SCHEMBL5268151

CCOC(=O)C(C)(C)NC(=O)c1[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN8A Q9UQD0 3/20 0.33
SCN10A Q9Y5Y9 3/20 0.33
PTPN5 P54829 1/20 0.32
PPARD Q03181 2/20 0.32
IDH1 O75874 1/20 0.32
NR1H2 P55055 1/20 0.31
CYP2C9 P11712 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
FFAR1 O14842 1/20 0.31
BRD4 O60885 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
SCHEMBL5266914 0.87 MAPT (0.41) MAPTMEN1POLBKMT2APTPN5
SCHEMBL5269766 0.83 TOP2A (0.38) SCN8ASCN10APTPN5PPARDFFAR1
SCHEMBL5573980 0.80 MAPT (0.40) MAPTMEN1POLBKMT2APPARD
SCHEMBL5271428 0.79 MAPT (0.41) MAPTMEN1POLBKMT2APTPN5
SCHEMBL5268298 0.76 MAPT (0.41) MAPTMEN1POLBKMT2ACYP2C9
SCHEMBL5509080 0.76 PTPN5 (0.37) MAPTSCN8ASCN10APTPN5PPARD
SCHEMBL5267628 0.75 PPARD (0.39) MAPTMEN1POLBKMT2APPARD
SCHEMBL5270824 0.75 PTPN1 (0.37) MAPTMEN1POLBKMT2APTPN5
SCHEMBL5339470 0.74 GPR35 (0.37) MAPTKMT2ASCN8ASCN10APTPN5
SCHEMBL5339900 0.74 BRD4 (0.40) MEN1POLBKMT2ABRD4

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-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed