SCHEMBL14499259

SCHEMBL14499259

CC(C)CC(=O)Oc1ccccc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
IRAK4 Q9NWZ3 2/20 0.60
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CTNNB1 P35222 1/20 0.49
PARP1 P09874 2/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RECQL P46063 1/20 0.45

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
SCHEMBL7712758 0.85 KDM4E (0.64) HTTMEN1KMT2AMAPTLMNA
SCHEMBL16756208 0.84 ALOX15 (0.59) HTTMEN1KMT2AMAPTLMNA
SCHEMBL1914072 0.83 KDM4E (0.48) HTTIRAK4MEN1KMT2ALMNA
SCHEMBL9568812 0.83 IRAK4 (0.59) HTTIRAK4MEN1KMT2AMAPT
SCHEMBL27998599 0.83 IRAK4 (0.51) HTTIRAK4MEN1KMT2AMAPT
SCHEMBL12446768 0.82 IRAK4 (0.58) HTTIRAK4MEN1KMT2AMAPT
SCHEMBL4084650 0.81 MAPT (0.54) HTTMEN1KMT2AMAPTLMNA
SCHEMBL28472857 0.81 IRAK4 (0.56) HTTIRAK4MEN1KMT2AMAPT
SCHEMBL28026157 0.81 NPC1 (0.50) IRAK4MEN1KMT2ALMNASLC6A3
SCHEMBL13179808 0.80 IRAK4 (0.49) HTTIRAK4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235258-B1 Sustained-release formulations for treating CNS-mediated disorders NPS PHARMACEUTICALS, INC. (US) 2007-06-26 US disclosed