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Sugi Predict / Compounds / Dodecanoate

Dodecanoate

Dodecanoate

SCHEMBL1661284

CCCCCCCCCCCC(=O)[O-].CCn1cc[n+](C)c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ HSP90AA1 P07900 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ APAF1 O14727 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ PLA2G1B P04054 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ATG4B Q9Y4P1 1/20 0.54
▸ FABP3 P05413 7/20 0.45
▸ CA1 P00915 1/20 0.42
▸ FDPS P14324 2/20 0.40
▸ CES2 O00748 2/20 0.39
▸ CES1 P23141 2/20 0.39

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
Decanoic Acid SCHEMBL1662197 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Heptanoate SCHEMBL1661520 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Octanoic Acid SCHEMBL1661279 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Dodecanoate SCHEMBL16712245 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Undecanoate SCHEMBL1663982 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Nonanoate SCHEMBL1661374 1.00 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Palmitic Acid SCHEMBL28783471 0.90 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Octanoic Acid SCHEMBL3125481 0.90 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Dodecanoate SCHEMBL31549880 0.90 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Myristic Acid SCHEMBL28783475 0.90 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486175-B1 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS GRASIM IND LTD (IN) 2015-05-20 — — EP claimed
US-8952146-B2 Process for manufacturing low-fibrillating cellulosic fiber GRASIM INDUSTRIES LIMITED (IN) 2015-02-10 — — US claimed
US-20120253031-A1 PROCESS FOR MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBER GRASIM INDUSTRIES LIMITED (IN) 2012-10-04 — — US claimed
US-20120253030-A1 PROCESS FOR MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBER GRASIM INDUSTRIES LIMITED (IN) 2012-10-04 — — US claimed
EP-2486175-B1 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS GRASIM IND LTD (IN) 2015-05-20 — — EP disclosed
US-8952146-B2 Process for manufacturing low-fibrillating cellulosic fiber GRASIM INDUSTRIES LIMITED (IN) 2015-02-10 — — US disclosed
US-20120253030-A1 PROCESS FOR MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBER GRASIM INDUSTRIES LIMITED (IN) 2012-10-04 — — US disclosed
US-20120253031-A1 PROCESS FOR MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBER GRASIM INDUSTRIES LIMITED (IN) 2012-10-04 — — US disclosed
EP-2486175-A2 A PROCESS OF MANUFACTURING LOW FIBRILLATING CELLULOSE FIBERS Grasim Industries Limited (IN) 2012-08-15 — — EP disclosed
EP-2486062-A2 A PROCESS OF MANUFACTURING LOW-FIBRILLATING CELLULOSIC 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
WO-2011048608-A2 A PROCESS OF MANUFACTURING LOW-FIBRILLATING CELLULOSIC FIBERS GRASIM INDUSTRIES LIMITED (IN) 2011-04-28 — — WO disclosed