Cetrimonium

Cetrimonium

SCHEMBL8434407

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.56
APAF1 O14727 1/20 0.52
HSP90AA1 P07900 1/20 0.52
RAD52 P43351 1/20 0.52
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
LSS P48449 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 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
Malonic Acid SCHEMBL8436857 1.00 DNM1 (0.56) DNM1APAF1HSP90AA1RAD52GPR84
Malonic Acid SCHEMBL8437823 1.00 DNM1 (0.56) DNM1APAF1HSP90AA1RAD52GPR84
Cetrimonium SCHEMBL8434403 0.90 DNM1 (0.62) DNM1APAF1HSP90AA1RAD52TSHR
Malonic Acid SCHEMBL8437815 0.90 DNM1 (0.62) DNM1APAF1HSP90AA1RAD52TSHR
Malonic Acid SCHEMBL8436854 0.90 DNM1 (0.62) DNM1APAF1HSP90AA1RAD52TSHR
Malonic Acid SCHEMBL8437818 0.88 DNM1 (0.65) DNM1APAF1HSP90AA1RAD52GPR84
Cetrimonium SCHEMBL8434405 0.88 DNM1 (0.65) DNM1APAF1HSP90AA1RAD52GPR84
Malonic Acid SCHEMBL8436856 0.88 DNM1 (0.65) DNM1APAF1HSP90AA1RAD52GPR84
Bicarbonate SCHEMBL9724761 0.86 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52TSHR
Bicarbonate SCHEMBL22630884 0.86 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52TSHR

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-5933693-A Electroconductive elastic member and electrophotographic apparatus using same BRIDGESTONE CORPORATION (JP) 1999-08-03 US disclosed