SCHEMBL13992015

SCHEMBL13992015

FC(F)(F)Oc1ccc(-c2c3ccccc3c(-c3ccc(OC(F)(F)F)c4ccccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
GPR3 P46089 2/20 0.35
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
C1R P00736 1/20 0.33
BRD4 O60885 1/20 0.32
MAP2 P11137 1/20 0.32
SCN9A Q15858 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL16852474 0.76 CYP1A2 (0.52) EPHX2KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL4083989 0.76 IDO1 (0.57) EPHX2KIF11KDM4EALOX5APFEN1
SCHEMBL15537453 0.76 PKM (0.45) EPHX2KIF11KDM4EL3MBTL1C1R
SCHEMBL24571295 0.73 HSD11B1 (0.35) EPHX2KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL16849210 0.73 KCNK3 (0.43) EPHX2KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL13750097 0.72 IDO1 (0.57) KDM4EALDH1A1POLB
SCHEMBL29954928 0.72 ENPP2 (0.37) EPHX2KIF11KDM4EALDH1A1L3MBTL1
SCHEMBL22679816 0.72 SLC2A1 (0.40) KDM4EALDH1A1L3MBTL1
SCHEMBL3120591 0.71 KDM4E (0.53) EPHX2KDM4EALDH1A1L3MBTL1C1R
SCHEMBL4654446 0.70 RXRA (0.47) EPHX2KDM4EALDH1A1L3MBTL1HSD11B1

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
US-20080303422-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080303422-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed