SCHEMBL3830635

SCHEMBL3830635

CC(C)COC(=O)N1CC(O)C(CN)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
HDAC2 Q92769 1/20 0.38
P2RX4 Q99571 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
POLB P06746 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
HSD11B1 P28845 1/20 0.33
KIT P10721 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.31

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
SCHEMBL5967869 0.87 RAB9A (0.43) RAB9AHDAC2JAK2JAK1MEN1
SCHEMBL5568829 0.83 RAB9A (0.43) RAB9AHDAC2P2RX4CHRNB2CHRNA4
SCHEMBL1692767 0.80 RAB9A (0.45) RAB9AHDAC2P2RX4CHRNB2CHRNA4
SCHEMBL2229068 0.78 RAB9A (0.44) RAB9AHDAC2P2RX4CHRNB2CHRNA4
SCHEMBL14243062 0.76 CHRNB2 (0.54) RAB9AHDAC2P2RX4CHRNB2CHRNA4
SCHEMBL3830737 0.76 JAK1 (0.39) RAB9AHDAC2P2RX4CHRNB2CHRNA4
SCHEMBL3717661 0.76 RAB9A (0.43) RAB9AHDAC2JAK2JAK1MEN1
SCHEMBL19122974 0.76 NR1H2 (0.51) MEN1HPGDKMT2A
SCHEMBL13958616 0.76 NR1H2 (0.51) MEN1HPGDKMT2A
SCHEMBL13089123 0.76 NR1H2 (0.51) MEN1HPGDKMT2A

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-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed