SCHEMBL3400703

SCHEMBL3400703

Cc1ccc(OCCCC(O)CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
DRD3 P35462 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
WDR5 P61964 1/20 0.43
KCNH2 Q12809 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3400182 0.88 MEN1 (0.53) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL16093324 0.80 TSHR (0.65) KMT2AMEN1USP2TSHRWDR5
SCHEMBL15947750 0.80 TSHR (0.65) KMT2AMEN1USP2TSHRWDR5
SCHEMBL772822 0.80 TSHR (0.65) KMT2AMEN1USP2TSHRWDR5
SCHEMBL24418950 0.77 L3MBTL1 (0.50) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL13251251 0.76 MEN1 (0.57) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL2470401 0.75 DRD2 (0.59) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL7804270 0.75 MEN1 (0.53) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL3399248 0.75 TSHR (0.64) KMT2AMEN1TSHRKCNH2
SCHEMBL3399531 0.75 MEN1 (0.45) KMT2AMEN1DRD2DRD4DRD3

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 7 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
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed