SCHEMBL3830737

SCHEMBL3830737

CC(C)COC(=O)N1CC(O)C(C#N)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.39
JAK2 O60674 4/20 0.39
RAB9A P51151 1/20 0.38
HDAC2 Q92769 1/20 0.35
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DPP4 P27487 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX4 Q99571 1/20 0.32
HSD11B1 P28845 1/20 0.32
KIT P10721 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL19100780 0.78 LMNA (0.49) JAK1JAK2POLBCHRNB2CHRNA4
SCHEMBL24525904 0.78 JAK1 (0.45) JAK1JAK2RAB9AHDAC2DPP4
SCHEMBL1692767 0.77 RAB9A (0.45) JAK1JAK2RAB9AHDAC2POLB
SCHEMBL3830635 0.76 RAB9A (0.39) JAK1JAK2RAB9AHDAC2POLB
SCHEMBL14243062 0.74 CHRNB2 (0.54) JAK1JAK2RAB9AHDAC2POLB
SCHEMBL2934516 0.74 NR1H2 (0.45) JAK1JAK2DPP4MEN1HPGD
SCHEMBL15073250 0.74 NR1H2 (0.45) JAK1JAK2DPP4MEN1HPGD
SCHEMBL2738098 0.74 NR1H2 (0.45) JAK1JAK2DPP4MEN1HPGD
SCHEMBL5310934 0.74 RAB9A (0.47) JAK1JAK2RAB9ADPP4MEN1
SCHEMBL15147124 0.74 NR1H2 (0.45) JAK1JAK2DPP4MEN1HPGD

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