SCHEMBL7548020

SCHEMBL7548020

CCCC[N+](CC)(CCCC)CCCC.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.42
DNM1 Q05193 6/20 0.41
CHRNA7 P36544 6/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
KCNH2 Q12809 1/20 0.38
CHRNA10 Q9GZZ6 3/20 0.37
CHRNA9 Q9UGM1 3/20 0.37
SLC22A2 O15244 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36

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 SCHEMBL14916 0.94 SLC22A1 (0.50) SLC22A1DNM1KCNH2SLC22A2MEN1
Tetrabuthylammonium SCHEMBL10643545 0.90 SLC22A1 (0.46) SLC22A1DNM1KCNH2SLC22A2MEN1
Tetrapentylammonium SCHEMBL8610604 0.90 SLC22A1 (0.50) SLC22A1DNM1KCNH2SLC22A2MEN1
Tributylmethylammonium SCHEMBL6657073 0.89 DNM1 (0.38) SLC22A1DNM1CHRNA7CHRNB2CHRNB4
SCHEMBL4934599 0.88 SLC22A1 (0.52) SLC22A1DNM1KCNH2SLC22A2MEN1
SCHEMBL15538817 0.88 SLC22A1 (0.52) SLC22A1DNM1KCNH2SLC22A2MEN1
SCHEMBL1520532 0.88 SLC22A1 (0.52) SLC22A1DNM1KCNH2SLC22A2MEN1
SCHEMBL15538699 0.88 SLC22A1 (0.52) SLC22A1DNM1KCNH2SLC22A2MEN1
Tetrahexylammonium SCHEMBL3051566 0.88 SLC22A1 (0.52) SLC22A1DNM1KCNH2SLC22A2MEN1
SCHEMBL8571872 0.88 SLC22A1 (0.52) SLC22A1DNM1KCNH2SLC22A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed