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Sugi Predict / Compounds / Tetrabuthylammonium

Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL15345895

CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)(O)CCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.36

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33

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
Tetrabuthylammonium SCHEMBL1113137 0.86 SMN1; SMN2 (0.39) TDP1
SCHEMBL8158074 0.85 SMN1; SMN2 (0.34) ALDH1A1TDP1MMP13TSHR
SCHEMBL8159899 0.84 SMN1; SMN2 (0.33) ALDH1A1TSHR
Carbon Monoxide SCHEMBL11109139 0.81 APP (0.31) TSHR
SCHEMBL8160080 0.81 SMN1; SMN2 (0.35) CA12CA9ALDH1A1TDP1MMP13
SCHEMBL8153480 0.79 SMN1; SMN2 (0.34) ALDH1A1TDP1MMP13TSHR
Sulfuric Acid SCHEMBL30207711 0.79 TDP1 (0.43) CA12CA9ALDH1A1HTTTDP1
SCHEMBL28116920 0.78 CES2 (0.42) CA12CA9ALDH1A1HTTTDP1
SCHEMBL28295306 0.78 CES2 (0.42) CA12CA9ALDH1A1HTTTDP1
Pentane SCHEMBL29175097 0.77 DNM1 (0.39) HTT

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-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 — — EP claimed