SCHEMBL8725774

SCHEMBL8725774

CCCCCCCC[N+](C)(C)C.O=P([O-])(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
APAF1 O14727 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAD52 P43351 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 3/20 0.44
ESR1 P03372 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
AGTR1 P30556 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 2/20 0.44
CDC25A P30304 1/20 0.44
AKT1 P31749 1/20 0.44
ADRA1A P35348 1/20 0.44
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42

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
SCHEMBL8723563 0.90 DNM1 (0.46) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8725768 0.86 DNM1 (0.50) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Tetrabuthylammonium SCHEMBL14952990 0.85 MEN1 (0.44) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Phosphoric Acid SCHEMBL11149523 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1
Phosphoric Acid SCHEMBL9700010 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1
Phosphoric Acid SCHEMBL29166489 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1
Phosphoric Acid SCHEMBL31296661 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1
Phosphoric Acid SCHEMBL8733096 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1
Phosphoric Acid SCHEMBL17199727 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1
Phosphoric Acid SCHEMBL29166823 0.80 DNM1 (0.75) DNM1APAF1HSP90AA1RAD52MEN1

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
US-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 US disclosed