SCHEMBL6662262

SCHEMBL6662262

CCCCN(CCCC)CCN(CCCC)CCCC.O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.O=S(=O)(O)F.[Cu]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
FAAH O00519 2/20 0.38
KDM5A P29375 3/20 0.38
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL28341488 0.95 CA1 (0.43) CA12CA1CA9FAAHKDM5A
Sulfuric Acid SCHEMBL27883459 0.85 CA1 (0.46) CA12CA1CA9KDM5ATDP1
Sulfuric Acid SCHEMBL2148402 0.85 CA1 (0.46) CA12CA1CA9KDM5ATDP1
Sulfuric Acid SCHEMBL5874269 0.85 CA1 (0.46) CA12CA1CA9KDM5ATDP1
SCHEMBL27883468 0.83 KDM5A (0.46) CA12CA1CA9KDM5ATDP1
SCHEMBL4644169 0.83 CA1 (0.44) CA12CA1CA9KDM5ATDP1
SCHEMBL27883455 0.82 CA12 (0.40) CA12CA1CA9KDM5ATDP1
SCHEMBL5922397 0.82 CA12 (0.40) CA12CA1CA9KDM5ATDP1
SCHEMBL29071583 0.80 TSHR (0.44) CA12CA1CA9FAAHTDP1
Trifluoromethanesulfonic Acid SCHEMBL4318135 0.80 EPHX1 (0.42) CA12CA1CA9FAAHKDM5A

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-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed