SCHEMBL3399531

SCHEMBL3399531

Cc1ccc(OCCC(CN)CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 6/20 0.42
DRD4 P21917 6/20 0.42
DRD3 P35462 6/20 0.42
WDR5 P61964 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.40
KCNH2 Q12809 3/20 0.39
MAPK1 P28482 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL3396854 0.89 MEN1 (0.44) MEN1KMT2AL3MBTL1DRD2DRD4
Hydrochloric Acid SCHEMBL3400135 0.87 MEN1 (0.43) MEN1KMT2AL3MBTL1DRD2DRD4
Hydrochloric Acid SCHEMBL3398636 0.87 MEN1 (0.43) MEN1KMT2AL3MBTL1DRD2DRD4
SCHEMBL5571079 0.78 CYP19A1 (0.41) DRD2DRD4DRD3TDP1
SCHEMBL3401260 0.76 MAPT (0.51) MEN1KMT2AL3MBTL1TDP1NPC1
SCHEMBL3397865 0.75 SCN4A (0.50) MEN1KMT2AKCNH2
SCHEMBL24418950 0.75 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1DRD2DRD4
SCHEMBL3400703 0.75 KMT2A (0.54) MEN1KMT2AL3MBTL1DRD2DRD4
SCHEMBL14959985 0.73 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1DRD2DRD4
SCHEMBL10698935 0.73 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932551-A Aminoalkanol derivatives, process for producing aminoalkanols and use thereof UNIV JAGIELLONSKI 2010-12-29 CN claimed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
CN-106431941-A DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE 雅盖隆大学 2017-02-22 CN disclosed
CN-101932551-A Aminoalkanol derivatives, process for producing aminoalkanols and use thereof UNIV JAGIELLONSKI 2010-12-29 CN disclosed