SCHEMBL5573340

SCHEMBL5573340

CCCCc1ccccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TLR8 Q9NR97 1/20 0.34
CYSLTR2 Q9NS75 4/20 0.33
CYSLTR1 Q9Y271 4/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TYR P14679 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6409297 0.87 LIPG (0.50) LIPGTLR8CYSLTR2CYSLTR1NR1H2
SCHEMBL6287955 0.86 LIPG (0.53) LIPGCYSLTR2CYSLTR1NR1H2NR1H3
Hydrochloric Acid SCHEMBL3244587 0.84 LIPG (0.51) LIPGCYSLTR2CYSLTR1NR1H2NR1H3
SCHEMBL13725513 0.82 MGLL (0.41) CYP2D6CYP4F2CYP4A11TSHRL3MBTL1
SCHEMBL1583827 0.81 CYP4F2 (0.33) LIPGCYP4F2CYP4A11
SCHEMBL8903099 0.78 LIPG (0.45) LIPGCYSLTR2CYSLTR1NR1H2NR1H3
SCHEMBL13824617 0.73 MGLL (0.47) CYP2D6CYP4F2CYP4A11TSHRL3MBTL1
Phosphoric Acid SCHEMBL27871469 0.72 TSHR (0.35) LIPGCYP4F2CYP4A11TSHR
SCHEMBL29520482 0.72 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL245188 0.72 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9TLR8

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-1786728-A1 BULK SEPARATION OF CARBON NANOTUBES BY BANDGAP William Marsh Rice University (US) 2007-05-23 EP disclosed
WO-2006096200-A1 BULK SEPARATION OF CARBON NANOTUBES BY BANDGAP WILLIAM MARSH RICE UNIVERSITY (US) 2006-09-14 WO disclosed