SCHEMBL16474147

SCHEMBL16474147

CC=C(O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.50
LTA4H P09960 1/20 0.46
CHEK2 O96017 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
MAOB P27338 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 1/20 0.43
KIF11 P52732 1/20 0.43
NR4A2 P43354 1/20 0.43
GCGR P47871 1/20 0.43

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
SCHEMBL27579381 0.82 LTA4H (0.59) MAPK14LTA4HL3MBTL1NR3C1PGR
SCHEMBL693792 0.82 NR4A2 (0.62) MAPK14CHEK2NR3C1PGRAR
SCHEMBL11071994 0.81 MAOB (0.63) MAPK14LTA4HCHEK2CYP1A2CYP2C9
SCHEMBL9546526 0.81 L3MBTL1 (0.55) MAPK14LTA4HL3MBTL1NR3C1PGR
SCHEMBL23244709 0.80 L3MBTL1 (0.51) MAPK14LTA4HL3MBTL1NR3C1PGR
SCHEMBL9798371 0.79 LTA4H (0.54) LTA4HL3MBTL1NR3C1PGRAR
SCHEMBL694268 0.78 MAPT (0.61) MAPK14CHEK2L3MBTL1TLR8TLR7
SCHEMBL11069694 0.78 MAPK14 (0.52) MAPK14LTA4HCHEK2L3MBTL1TLR8
SCHEMBL13809396 0.78 LTA4H (0.52) MAPK14LTA4HL3MBTL1NR3C1PGR
SCHEMBL9589615 0.78 LTA4H (0.53) MAPK14LTA4HNR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed