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Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL2064523

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Tetrabuthylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR known ✓ P25105 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NR5A2 O00482 1/20 0.62
▸ NR5A1 Q13285 1/20 0.62
▸ MAPT P10636 1/20 0.58
▸ ADRA1D P25100 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ RECQL P46063 1/20 0.51
▸ FABP3 P05413 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PLA2G10 O15496 1/20 0.47
▸ PRKD3 O94806 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKCB P05771 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCH P24723 1/20 0.46

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
SCHEMBL234633 0.93 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL27219506 0.93 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL6285425 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL21523585 0.82 FABP3 (0.59) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL14346443 0.82 FABP3 (0.59) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL2033464 0.82 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL7513216 0.82 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL7512017 0.82 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL2030912 0.82 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTADRA1D
SCHEMBL417649 0.78 SMN1; SMN2 (0.98) SMN1; SMN2NR5A2NR5A1MAPTADRA1D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877517-B1 Methods for ionophorically screening pore forming bacterial protein toxins and receptors CUPPOLETTI JOHN (US) 2014-11-04 — — US disclosed
US-20140318963-A1 METHODS FOR IONOPHORICALLY SCREENING PORE FORMING BACTERIAL PROTEIN TOXINS AND RECEPTORS CUPPOLETTI JOHN (US) 2014-10-30 — — US disclosed
US-8835181-B2 Methods for ionophorically screening pore forming bacterial protein toxins and receptors CUPPOLETTI JOHN (US) 2014-09-16 — — US disclosed
US-20130122605-A1 Methods for Ionophorically Screening Pore Forming Bacterial Protein Toxins and Receptors CUPPOLETTI JOHN (US) 2013-05-16 — — US disclosed
US-8361809-B2 Methods for ionophorically screening pore forming bacterial protein toxins and receptors CUPPOLETTI JOHN (US) 2013-01-29 — — US disclosed
US-20120142044-A1 METHODS FOR IONOPHORICALLY SCREENING PORE FORMING BACTERIAL PROTEIN TOXINS AND RECEPTORS CUPPOLETTI JOHN (US) 2012-06-07 — — US disclosed
US-8148172-B2 Methods for ionophorically screening pore forming bacterial protein toxins and receptors CUPPOLETTI JOHN (US) 2012-04-03 — — US disclosed
US-20080138839-A1 Forming membrane comprising lipid and receptor, contacting with pore forming bacterial protein toxin and ion solution, and measuring ion flow through the membrane; kits CUPPOLETTI JOHN 2008-06-12 — — US disclosed