Fluoride

Fluoride

SCHEMBL28049182

CCC#CC(=O)OCC.F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
TRPA1 O75762 1/20 0.36
TSHR P16473 3/20 0.34
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL126072 0.98
SCHEMBL18446 0.82 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1513351 0.81
SCHEMBL1513788 0.79
SCHEMBL14720076 0.79 HCAR2 (0.38) ALDH1A1LMNAHSD17B10TSHRHCAR2
SCHEMBL29093942 0.79 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10TSHRHCAR2
SCHEMBL8952078 0.79
SCHEMBL824893 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9747450 0.79
SCHEMBL29093915 0.79 NAAA (0.39) ALDH1A1LMNAHSD17B10TSHRHCAR2

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
CN-105209446-A GPR120 agonists for the treatment of type ii diabetes JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed