Cetrimonium

Cetrimonium

SCHEMBL5384565

C=Cc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.40
APAF1 O14727 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 1/20 0.38
ENPP2 Q13822 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
HIF1A Q16665 1/20 0.35
NR1I2 O75469 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL5383904 1.00 DNM1 (0.40) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL8685606 0.92 DNM1 (0.42) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL5274177 0.92 DNM1 (0.36) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL5912948 0.88 KCNH2 (0.41) DNM1HTTLMNACYP2D6CYP2C9
SCHEMBL5912632 0.88 KCNH2 (0.41) DNM1HTTLMNACYP2D6CYP2C9
Tetrabuthylammonium SCHEMBL5893071 0.88 KCNH2 (0.34) HTTLMNACYP2D6CYP2C9TSHR
SCHEMBL8994546 0.86 DNM1 (0.59) DNM1HSP90AA1RAD52MEN1KMT2A
Cetrimonium SCHEMBL7621038 0.84 KCNH2 (0.40) DNM1APAF1HSP90AA1RAD52ENPP2
Hydrochloric Acid SCHEMBL1832867 0.81 DNM1 (0.39) DNM1APAF1HSP90AA1RAD52ENPP2
Cetrimonium SCHEMBL25190762 0.81 DNM1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270753-B2 Surfactant-like polymer gel and a method for separating material using same THE PROVINCE OF GYEONGGI (KR) 2007-09-18 US claimed
US-20060049107-A1 Surfactant-like polymer gel and a method for separating material using same THE PROVINCE OF GYEONGGI (KR) 2006-03-09 US claimed
CN-1675289-A Surfactant-based polymer gel and method for separating material using the same HONGDOO KIM (KR) 2005-09-28 CN claimed