SCHEMBL9785036

SCHEMBL9785036

CCCCCCCCCCCC[N+](CCO)(CCO)CCCCCCCCCCCC.O=S(=O)(O)CCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.48
DNM1 Q05193 6/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC22A2 O15244 1/20 0.44

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
SCHEMBL11879878 0.93 SLC22A1 (0.48) SLC22A1DNM1ALDH1A1TP53CYP3A4
Sulfuric Acid SCHEMBL3969512 0.88 SLC22A1 (0.56) SLC22A1DNM1ALDH1A1TP53CYP3A4
Octane SCHEMBL1843443 0.86 LMNA (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10
Dodecane SCHEMBL28288842 0.86 LMNA (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10
Decane SCHEMBL27812031 0.86 LMNA (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10
Sulfuric Acid SCHEMBL9819682 0.85 SLC22A1 (0.52) SLC22A1DNM1ALDH1A1TP53CYP3A4
Tetrahexylammonium SCHEMBL332326 0.84 SLC22A1 (0.56) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL28558958 0.84 SLC22A1 (0.56) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL332112 0.84 SLC22A1 (0.56) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL330788 0.84 SLC22A1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5007955-A Applying quaternary ammonium sulfonates to weeds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-04-16 US claimed
US-5007955-A Applying quaternary ammonium sulfonates to weeds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-04-16 US disclosed