SCHEMBL3398166

SCHEMBL3398166

Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1CCO

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
L3MBTL1 Q9Y468 4/20 0.69
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 2/20 0.59
NPC1 O15118 2/20 0.59
TSHR P16473 1/20 0.59
ANO1 Q5XXA6 2/20 0.58
ANO2 Q9NQ90 1/20 0.58
TNF P01375 1/20 0.57
NOD2 Q9HC29 1/20 0.57
NOD1 Q9Y239 1/20 0.57
ALDH1A1 P00352 1/20 0.55
HTT P42858 2/20 0.55
TP53 P04637 2/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL6907487 0.84 L3MBTL1 (0.76) MAPTL3MBTL1LMNASMN1; SMN2MAPK1
SCHEMBL4908222 0.81 MAPT (0.71) MAPTL3MBTL1LMNASMN1; SMN2MAPK1
SCHEMBL11475652 0.79 SMN1; SMN2 (0.69) MAPTL3MBTL1LMNASMN1; SMN2MAPK1
SCHEMBL10857636 0.79 NOTUM (0.70) MAPTL3MBTL1SMN1; SMN2NPC1ANO1
SCHEMBL12259122 0.76 L3MBTL1 (0.64) MAPTL3MBTL1NPC1TSHRANO1
SCHEMBL6907493 0.75 CYP1A2 (0.62) MAPTL3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL10631774 0.74 ANO1 (0.60) MAPTL3MBTL1LMNASMN1; SMN2ANO1
SCHEMBL24349091 0.74 ANO1 (1.00) MAPTL3MBTL1SMN1; SMN2NPC1ANO1
SCHEMBL9722109 0.73 ALDH1A1 (0.72) MAPTL3MBTL1LMNASMN1; SMN2ANO1
SCHEMBL24348517 0.73 ANO1 (1.00) MAPTL3MBTL1LMNASMN1; SMN2TSHR

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-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