SCHEMBL28467628

SCHEMBL28467628

CCCCC(N)(CCCC)c1ccccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.37
TNNC1 P63316 5/20 0.36
S1PR1 P21453 2/20 0.36
SGPL1 O95470 1/20 0.36
S1PR4 O95977 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
SPHK2 Q9NRA0 3/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 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
SCHEMBL331681 0.88 LIPG (0.40) LIPGTNNC1S1PR1SGPL1S1PR4
Bromide SCHEMBL3386923 0.87 LIPG (0.39) LIPGTNNC1S1PR1SGPL1S1PR4
Iodide SCHEMBL21808913 0.87 LIPG (0.39) LIPGTNNC1S1PR1SGPL1S1PR4
Water SCHEMBL187670 0.87 LIPG (0.39) LIPGTNNC1S1PR1SGPL1S1PR4
Hydrochloric Acid SCHEMBL766982 0.87 LIPG (0.39) LIPGTNNC1S1PR1SGPL1S1PR4
SCHEMBL11333075 0.86 LIPG (0.47) LIPGTNNC1S1PR1SGPL1S1PR4
Bicarbonate SCHEMBL28525416 0.84 CYSLTR2 (0.41) LIPGCYSLTR2CYSLTR1
SCHEMBL28501218 0.83 LIPG (0.46) LIPGTNNC1S1PR1SGPL1S1PR4
Hydrochloric Acid SCHEMBL11199018 0.83 LIPG (0.47) LIPGTNNC1S1PR1SGPL1S1PR4
Acetic Acid SCHEMBL28915072 0.83 CYSLTR2 (0.40) LIPGCYSLTR2CYSLTR1

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
CN-106398581-B Antistatic agent for adhesive 第一工业制药株式会社 2020-06-23 CN disclosed