SCHEMBL7550193

SCHEMBL7550193

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA7 P36544 4/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DNM1 Q05193 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL7553273 0.86 CHRM4 (0.36) ALDH1A1LMNANPSR1HSD17B10CHRNB4
Tetrylammonium SCHEMBL381518 0.83 CHRNA7 (0.42) ALDH1A1LMNANPSR1HSD17B10CHRNB4
Tetramethylammonium Ion SCHEMBL465007 0.82 APOBEC3A (0.41) ALDH1A1LMNANPSR1HSD17B10TP53
SCHEMBL10357730 0.79 TP53 (0.41) ALDH1A1LMNANPSR1HSD17B10TP53
Tetramethylammonium Ion SCHEMBL9468268 0.79 APOBEC3A (0.39) ALDH1A1LMNANPSR1HSD17B10TP53
Tetramethylammonium Ion SCHEMBL9468267 0.79 APOBEC3A (0.39) ALDH1A1LMNANPSR1HSD17B10TP53
SCHEMBL10587125 0.79 ALDH1A1 (0.41) ALDH1A1LMNANPSR1HSD17B10TP53
SCHEMBL31533211 0.77 APOBEC3A (0.36) ALDH1A1LMNANPSR1HSD17B10CHRNB4
SCHEMBL7549490 0.77 DNM1 (0.36) ALDH1A1LMNANPSR1HSD17B10CHRNB4
Ethylamine SCHEMBL2230804 0.77 TP53 (0.39) ALDH1A1LMNANPSR1HSD17B10TP53

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