SCHEMBL7781693

SCHEMBL7781693

CCCCCCCc1ccc(-c2ccccc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
TYR P14679 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD11B1 P28845 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
RARB P10826 1/20 0.41
GPR3 P46089 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL7786742 1.00 LIPG (0.44) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL7788940 0.98 HSD11B1 (0.42) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL9492882 0.97 HSD11B1 (0.42) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL9493503 0.97 HSD11B1 (0.42) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL9496996 0.95 HSD11B1 (0.43) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL17108393 0.90 TYR (0.43) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL11933070 0.87 TYR (0.42) LIPGCYP3A4MAPTTYRMEN1
SCHEMBL28382461 0.86 CTSL (0.51) MAPTHSD11B1CTSLCTSSCTSK
SCHEMBL9563873 0.86 CYSLTR2 (0.36) LIPGHSD11B1CTSLCTSSCTSK
SCHEMBL9563819 0.86 CYSLTR2 (0.36) LIPGHSD11B1CTSLCTSSCTSK

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
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed