SCHEMBL3662228

SCHEMBL3662228

CC(C)(C)OC(=O)c1cc(O)cc(-c2cccc(F)c2)c1.CC(C)(C)OC(=O)c1cc(OCc2ccccc2)cc(-c2cccc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.45
FFAR1 O14842 1/20 0.44
MAOB P27338 3/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
GPR34 Q9UPC5 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
RXRA P19793 1/20 0.42
GRM2 Q14416 1/20 0.42
ADRB2 P07550 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL2260815 0.96 NR4A2 (0.48) NR4A2FFAR1MAOBMRGPRX4GPR34
SCHEMBL2264260 0.86 ESR2 (0.44) NR1H2NR1H3RXRA
SCHEMBL2260868 0.84 MRGPRX4 (0.60) NR4A2FFAR1MAOBMRGPRX4GPR34
SCHEMBL2260061 0.81 MEN1 (0.65) NR4A2FFAR1MAOBMRGPRX4GPR34
SCHEMBL2261371 0.76 MAOB (0.51) MAOBKMT2AMEN1
SCHEMBL27371605 0.75 MEN1 (0.54) NR4A2MAOBKMT2AMEN1
SCHEMBL3567254 0.74 FFAR1 (0.56) NR4A2FFAR1MRGPRX4GPR34FFAR4
SCHEMBL18736253 0.73 MAPT (0.46) NR4A2MAOBMRGPRX4FFAR4KMT2A
SCHEMBL731203 0.73 LMNA (0.62) NR4A2MAOBMRGPRX4KMT2AMEN1
SCHEMBL18662327 0.73 MRGPRX4 (0.54) NR4A2FFAR1MAOBMRGPRX4GPR34

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-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed