SCHEMBL5413469

SCHEMBL5413469

CN(C)CCOC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
OPRK1 P41145 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.31
RET P07949 1/20 0.30

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
SCHEMBL15672481 0.85 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL13202041 0.81 GAA (0.36) GAAL3MBTL1HTTALDH1A1ALOX15
SCHEMBL16790813 0.81 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL15672512 0.81 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL19720362 0.79 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL987059 0.79 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL16518712 0.78 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL4409167 0.78 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL2218799 0.76 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL24849803 0.75 GAA (0.34) GAAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312332-B2 Such as 1-butyl-3-hydroxy-1-[2-hydroxy-3-(1-oxyl-2,2,6,6-tetramethyl-piperidin-4-yloxy)-propyl]-azetidinium chloride; yellowing and discoloration prevention; ultraviolet, fluorescent and solar light stability; expanding use of high yield pulps to higher grade products CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-12-25 US disclosed
US-6989449-B1 Chlorohydrin and cationic compounds having high affinity for pulp or paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-01-24 US disclosed
US-20050092452-A1 Chlorohydrin and cationic compounds having high affinity for pulp or paper CUNKLE GLEN T (US) 2005-05-05 US disclosed
EP-1212486-B1 CHLOROHYDRIN AND CATIONIC COMPOUNDS HAVING HIGH AFFINITY FOR PULP OR PAPER CIBA SC HOLDING AG (CH) 2005-04-06 EP disclosed
EP-1212486-A1 CHLOROHYDRIN AND CATIONIC COMPOUNDS HAVING HIGH AFFINITY FOR PULP OR PAPER Ciba SC Holding AG (CH) 2002-06-12 EP disclosed
WO-2001020078-A1 CHLOROHYDRIN AND CATIONIC COMPOUNDS HAVING HIGH AFFINITY FOR PULP OR PAPER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed