SCHEMBL4730366

SCHEMBL4730366

CCCCc1ccccc1[I+]c1ccccc1CCCC.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TYR P14679 1/20 0.33
TLR8 Q9NR97 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.30
CYSLTR1 Q9Y271 2/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL129269 0.94 LIPG (0.43) LIPGCYP3A4TYRCYSLTR2CYSLTR1
SCHEMBL29362662 0.94 LIPG (0.43) LIPGCYP3A4TYRCYSLTR2CYSLTR1
Ammonia Solution, Strong SCHEMBL30387130 0.85 LIPG (0.40) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL3912339 0.80 LIPG (0.38) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL6065827 0.79 LIPG (0.33) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL29584401 0.78 LIPG (0.50) LIPGCYP3A4TYRCYSLTR2CYSLTR1
SCHEMBL5413206 0.78 LIPG (0.50) LIPGCYP3A4TYRCYSLTR2CYSLTR1
SCHEMBL132626 0.78 LIPG (0.50) LIPGCYP3A4TYRCYSLTR2CYSLTR1
SCHEMBL6065263 0.77 LIPG (0.32) LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL9282660 0.77 GABRA1 (0.37)

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
WO-2008036170-A1 NEGATIVE-WORKING RADIATION-SENSITIVE COMPOSITIONS AND IMAGEABLE MATERIALS EASTMAN KODAK COMPANY (US) 2008-03-27 WO disclosed