SCHEMBL15536304

SCHEMBL15536304

CCCCCCC[N+](CC)(C(C)C)C(C)C.CCCCCC[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.56
DNM1 Q05193 6/20 0.56
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC22A2 O15244 1/20 0.52
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL302025 0.93 DNM1 (0.50) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL6558342 0.84 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL6558103 0.81 SLC22A1 (0.52) SLC22A1DNM1ALDH1A1TP53CYP3A4
Bromide SCHEMBL9160986 0.81 ALDH1A1 (0.57) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL1010199 0.78 SLC22A1 (0.93) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL3215351 0.78 SLC22A1 (0.93) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL16390862 0.78 SLC22A1 (0.93) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL5294280 0.78 SLC22A1 (0.93) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL331846 0.78 SLC22A1 (0.93) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL2547248 0.78 SLC22A1 (0.93) SLC22A1DNM1ALDH1A1TP53CYP3A4

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
WO-2015078903-A1 COSMETIC PROCESS FOR LIGHTENING THE SKIN WITH AN ANIONIC OPTICAL BRIGHTENER L'OREAL (FR) 2015-06-04 WO disclosed
EP-2854749-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'Oréal (FR) 2015-04-08 EP disclosed
WO-2013175002-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'OREAL (FR) 2013-11-28 WO disclosed