SCHEMBL17023003

SCHEMBL17023003

CCCC[N+](CCCC)(CCCC)CC(C)(C)NCl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.46
SLC22A2 O15244 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DNM1 Q05193 5/20 0.34

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 SCHEMBL3251738 0.98 SLC22A1 (0.44) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL17022990 0.81 SLC22A1 (0.50) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL17023000 0.81 DNM1 (0.33) SLC22A1DNM1
Hydrochloric Acid SCHEMBL3247030 0.79 SLC22A1 (0.48) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL3247238 0.79 PLA2G1B (0.32) SLC22A1DNM1
SCHEMBL13003040 0.79 SLC22A1 (0.58) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL9221599 0.72 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL12852736 0.71 DNM1 (0.46) SLC22A1DNM1
SCHEMBL17022996 0.70 SLC22A1 (0.46) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL608038 0.68 SLC22A1 (0.75) SLC22A1SLC22A2ALDH1A1TP53CYP3A4

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-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP claimed