SCHEMBL4205679

SCHEMBL4205679

CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 3/20 0.59
DGKA P23743 1/20 0.50
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47

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
Hydrochloric Acid SCHEMBL4203252 0.99 MEN1 (0.63) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL17033274 0.94 DNM1 (0.60) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7209575 0.92 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL17024386 0.92 MEN1 (0.61) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL17033272 0.89 DNM1 (0.55) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL17024373 0.88 MEN1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL21293901 0.88 DNM1 (0.56) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL17033267 0.87 DNM1 (0.52) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7213507 0.87 DNM1 (0.52) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL17024385 0.86 DNM1 (0.51) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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-1587553-B1 QUATERNARY AMMONIUM ESTERS FOR DISINFECTION AND PRESERVATION BAUSCH & LOMB (US) 2009-03-11 EP claimed