SCHEMBL6699768

SCHEMBL6699768

CCCCCCCCCCCCCCCC[N+](C)(C)[O-].CCCCCCCCCCCCCC[N+](C)(C)[O-].CCCCCCCCCCCC[N+](C)(C)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 1.00
DNM1 Q05193 10/20 0.60
HTT P42858 2/20 0.60
SLC22A1 O15245 1/20 0.58
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL80039 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL10935770 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL27363 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL2079306 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL1964346 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL10935932 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL79612 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL6684716 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL8429676 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1
SCHEMBL10935037 1.00 LSS (1.00) LSSDNM1HTTSLC22A1ALDH1A1

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
WO-2004027115-A1 METHOD AND SOLUTION FOR TREATING FLUOROCARBON SURFACES HASAN SYED M (US) 2004-04-01 WO claimed