SCHEMBL6687946

SCHEMBL6687946

CCCCc1ccccc1-c1[c]cccc1-c1ccccc1CCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TLR8 Q9NR97 1/20 0.33
PPARA Q07869 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
GPR3 P46089 1/20 0.32
TYR P14679 1/20 0.32
CYSLTR2 Q9NS75 3/20 0.32
CYSLTR1 Q9Y271 3/20 0.32
CNR2 P34972 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL5271436 0.94 LIPG (0.46) NR1H2NR1H3LIPGPPARAGPR3
SCHEMBL8519841 0.94 LIPG (0.46) NR1H2NR1H3LIPGPPARAGPR3
SCHEMBL12815176 0.94 LIPG (0.46) NR1H2NR1H3LIPGPPARAGPR3
SCHEMBL11045790 0.92 NR1H2 (0.39) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL3040415 0.82 CYP2D6 (0.40) CYP2D6TLR8PPARA
SCHEMBL10437918 0.82 NR1H2 (0.37) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL2701240 0.82 LIPG (0.50) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL4450766 0.80 ALOX5 (0.38) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL11110474 0.80 LIPG (0.45) NR1H2NR1H3LIPGPPARAGPR3
SCHEMBL7798017 0.80 LIPG (0.45) NR1H2NR1H3LIPGPPARAGPR3

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
EP-1036143-B1 PHOSPHATE LUBRICANT COMPOSITIONS AND METAL FORMING USE GREAT LAKES CHEMICAL CORP (US) 2004-10-06 EP claimed