SCHEMBL7549490

SCHEMBL7549490

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 3/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 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
Tributylmethylammonium SCHEMBL577575 0.88 DNM1 (0.42) DNM1MEN1KMT2ATP53MAPK1
Tetrapropylammonium SCHEMBL7548897 0.84 SLC22A1 (0.46) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL15537851 0.84 DNM1 (0.51) DNM1MEN1KMT2ATP53MAPK1
Biphenyl SCHEMBL28955867 0.84 ALDH1A1 (0.45) DNM1MEN1KMT2ATP53MAPK1
Biphenyl SCHEMBL28460813 0.82 ALDH1A1 (0.43) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL7553273 0.82 CHRM4 (0.36) TP53ALDH1A1LMNANPSR1HSD17B10
Tributylmethylammonium SCHEMBL6657073 0.81 DNM1 (0.38) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL10357730 0.81 TP53 (0.41) TP53SMN1; SMN2ALDH1A1LMNANPSR1
Tetramethylammonium Ion SCHEMBL465007 0.78 APOBEC3A (0.41) TP53MAPK1ALDH1A1LMNANPSR1
Tetrabuthylammonium SCHEMBL10643545 0.78 SLC22A1 (0.46) DNM1MEN1KMT2ATP53MAPK1

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 2 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