SCHEMBL4612828

SCHEMBL4612828

CC(CCO)CCN(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.38
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4611027 0.95 ALDH1A1 (0.43) ALDH1A1ALOX15MAPTTRPA1
SCHEMBL25864537 0.86 ALDH1A1 (0.38) ALDH1A1ALOX15MAPTCHRNB2CHRNB4
SCHEMBL12294533 0.84 ALDH1A1 (0.39) ALDH1A1ALOX15MAPTTRPA1
SCHEMBL26125922 0.83 LMNA (0.50) ALDH1A1ALOX15MAPTKDM4EL3MBTL1
SCHEMBL13019015 0.82 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL28178427 0.81 MAPT (0.38) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL600559 0.80 MAPT (0.48) ALDH1A1ALOX15MAPTTRPA1
SCHEMBL12225615 0.80 ALDH1A1 (0.44) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL20996671 0.78 MAPT (0.39) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4610848 0.77 TSHR (0.50) ALDH1A1MAPT

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-1074541-B1 Method for manufacturing aminoalcohol KURARAY CO LTD KURASHIKI PLANT (JP) 2008-10-22 EP disclosed
EP-1074541-A1 Method for manufacturing aminoalcohol Kuraray Co., Ltd., Kurashiki Plant (JP) 2001-02-07 EP disclosed