SCHEMBL8420829

SCHEMBL8420829

CCCCCCc1ccc(-c2ccc3c(F)c(OCC4OC4CCCC)c(F)cc3c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL7925860 0.89
SCHEMBL8463171 0.75
SCHEMBL7563652 0.74 ALOX5 (0.48) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL5722715 0.69
SCHEMBL7558787 0.65 RARB (0.42) MEN1MAPTTSHRKMT2A
SCHEMBL7557949 0.65 ALOX5 (0.54) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL7557099 0.65 TYR (0.42) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL17356649 0.64 TYR (0.41) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL17108406 0.64 TYR (0.47) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL7781660 0.64 TYR (0.42) MEN1TP53CYP3A4ALOX5MAPT

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-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