SCHEMBL8258174

SCHEMBL8258174

CC(C)CCOc1ccccc1-c1ccccc1OCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.62
IDO1 P14902 1/20 0.52
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
KCNN4 O15554 1/20 0.43
TLR8 Q9NR97 1/20 0.42
MCHR1 Q99705 1/20 0.42
PARP1 P09874 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8259358 0.87 HTT (0.56) HTTIDO1KDM4ELMNAMAPT
SCHEMBL13336667 0.79 HTT (0.51) HTTKDM4EMAPTMAPK1ALDH1A1
SCHEMBL8252739 0.78 IDO1 (0.57) HTTIDO1KDM4ELMNAMAPT
SCHEMBL8449509 0.75 HTT (0.54) HTTKDM4ELMNAMAPK1ALDH1A1
SCHEMBL11664169 0.75 HTT (0.54) HTTKDM4EMAPK1SMN1; SMN2PARP1
SCHEMBL5362778 0.75 HTT (0.71) HTTKDM4ELMNAMAPTALDH1A1
1,2-Diisopentoxybenzene SCHEMBL2843498 0.75 HTT (0.62) HTTIDO1KDM4ELMNAMAPT
SCHEMBL11098396 0.74 HTT (0.57) HTTKDM4ELMNAMAPTALDH1A1
SCHEMBL28416661 0.74 L3MBTL1 (0.68) HTTKDM4ELMNAMAPTMAPK1
SCHEMBL12545620 0.73 KMT2A (0.58) HTTKDM4ELMNAALDH1A1SMN1; SMN2

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-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 WO disclosed