SCHEMBL3400708

SCHEMBL3400708

Cc1ccc(OC(C)C(N)C(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TEAD4 Q15561 1/20 0.36
NLRP1 Q9C000 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL17904768 0.84 ACHE (0.42) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL3400184 0.82 MAPT (0.36) WDR5KMT2AMEN1ALDH1A1MAPT
SCHEMBL3399534 0.81 KMT2A (0.38) WDR5KMT2AMEN1ACHEALDH1A1
SCHEMBL8723823 0.79 ACHE (0.42) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL19493387 0.79 ACHE (0.42) WDR5KMT2AMEN1ACHEALDH1A1
SCHEMBL5960247 0.75 ACHE (0.42) WDR5KMT2AMEN1ACHEALDH1A1
SCHEMBL4241137 0.75 ACHE (0.42) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL3396858 0.75 MAPT (0.36) WDR5KMT2AMEN1ALDH1A1MAPT
SCHEMBL11577753 0.74 ACHE (0.46) WDR5KMT2AMEN1ACHEALDH1A1
SCHEMBL7521294 0.74 ACHE (0.46) KMT2AMEN1ACHEALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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