Dodecanoate

Dodecanoate

SCHEMBL1663407

CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCc1[nH]cc[n+]1C.CCn1cc[n+](C)c1

nearest known ligand 0.41

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 2/20 0.41
KMT2A Q03164 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
FABP3 P05413 7/20 0.35
FDPS P14324 2/20 0.32
CA1 P00915 1/20 0.31
LMNA P02545 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
Heptanoate SCHEMBL1664015 0.87 FABP3 (0.44) FABP3CA1
Dodecanoate SCHEMBL1661355 0.87 FABP3 (0.44) FABP3CA1
Octanoic Acid SCHEMBL1661625 0.87 FABP3 (0.44) FABP3CA1
Nonanoate SCHEMBL1666129 0.87 FABP3 (0.44) FABP3CA1
Decanoic Acid SCHEMBL1661626 0.87 FABP3 (0.44) FABP3CA1
Undecanoate SCHEMBL1661242 0.87 FABP3 (0.44) FABP3CA1
Dodecanoate SCHEMBL16712245 0.86 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Nonanoate SCHEMBL1661374 0.86 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Decanoic Acid SCHEMBL1662197 0.86 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Heptanoate SCHEMBL1661520 0.86 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1

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
EP-2486175-A2 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS Grasim Industries Limited (IN) 2012-08-15 EP disclosed
WO-2011048609-A2 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS GRASIM INDUSTRIES LIMITED (IN) 2011-04-28 WO disclosed