SCHEMBL6160710

SCHEMBL6160710

COC(=O)Oc1cc(OC(=O)OC)c(C)c(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
JAK2 O60674 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
FLT3 P36888 2/20 0.35
NNMT P40261 1/20 0.34
GLA P06280 2/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
LMNA P02545 1/20 0.33
MAPK8 P45983 1/20 0.32
PARP15 Q460N3 1/20 0.32

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
SCHEMBL6160713 0.80 KDM4E (0.38) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL9237989 0.72 KMT2A (0.42) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL28830235 0.70 CA12 (0.57) KDM4EHPGDMAPTHTTSMN1; SMN2
SCHEMBL8426699 0.69 MEN1 (0.49) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL17355768 0.68 HDAC1 (0.46) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL14001986 0.68 KDM4E (0.44) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL8777789 0.68 ALDH1A1 (0.47) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL18196475 0.68 MAPK1 (0.53) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL12432221 0.68 KDM4E (0.39) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL8777826 0.67 CYP19A1 (0.40) KDM4EHPGDHSD17B10MAPTHTT

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-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed