SCHEMBL7559498

SCHEMBL7559498

CCCCCCc1ccc(-c2ccc3c(F)c(OCCCCCCCC(C)CC)c(F)cc3c2F)nc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.33
CNR1 P21554 3/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7920153 0.87 GCGR (0.31) CNR2
SCHEMBL7557099 0.78 TYR (0.42) CNR2CNR1FEN1MEN1TP53
SCHEMBL8459185 0.75 CNR2 (0.31) CNR2CNR1
SCHEMBL7792752 0.75
SCHEMBL7922694 0.73 CNR2 (0.31) CNR2CNR1
SCHEMBL8420829 0.71 MEN1 (0.33) CNR2MEN1TP53CYP3A4ALOX5
SCHEMBL9874783 0.67 CNR2 (0.46) CNR2CNR1CYP3A4
SCHEMBL7558787 0.66 RARB (0.42) MEN1MAPTTSHRKMT2A
SCHEMBL7110595 0.65 KDM4E (0.51) CNR2CYP3A4MAPTHTT
SCHEMBL6863866 0.65 KDM4E (0.51) CNR2CYP3A4MAPTHTT

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-0944565-B1 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2002-07-31 EP disclosed
EP-0944565-A1 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
WO-1998027038-A1 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-06-25 WO disclosed