SCHEMBL4028851

SCHEMBL4028851

COc1cc(C=CC(N)=O)ccc1OCCN(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.58
SLC2A1 P11166 1/20 0.58
KDM4E B2RXH2 2/20 0.55
APP P05067 3/20 0.54
SNCA P37840 1/20 0.54
NFE2L2 Q16236 1/20 0.53
ACHE P22303 7/20 0.53
BCHE P06276 5/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL30560923 0.81 KDM4E (0.75) FDPSKDM4ESNCANFE2L2ACHE
SCHEMBL8153885 0.81 KDM4E (0.75) FDPSKDM4ESNCANFE2L2ACHE
SCHEMBL8153880 0.81 KDM4E (0.75) FDPSKDM4ESNCANFE2L2ACHE
SCHEMBL5132218 0.79 MAPK1 (0.62) MAPK1
SCHEMBL29407280 0.77 HDAC1 (0.64) KDM4ESNCANFE2L2ALDH1A1HPGD
SCHEMBL18570142 0.76 FDPS (0.61) FDPSKDM4EAPPSNCANFE2L2
SCHEMBL11759945 0.76 ALDH1A1 (0.69) FDPSKDM4ESNCANFE2L2ALDH1A1
SCHEMBL7606847 0.75 SLC2A1 (0.69) SLC2A1ACHEBCHEMEN1KMT2A
SCHEMBL7606852 0.75 SLC2A1 (0.69) SLC2A1ACHEBCHEMEN1KMT2A
SCHEMBL4028849 0.75 MCHR1 (0.54) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed