SCHEMBL3832028

SCHEMBL3832028

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
JAK1 P23458 5/20 0.35
JAK2 O60674 4/20 0.35
HDAC2 Q92769 1/20 0.34
P2RX4 Q99571 1/20 0.34
HPGD P15428 1/20 0.34
CTSL P07711 3/20 0.34
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34

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
SCHEMBL4008417 0.76 MEN1 (0.44) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL625040 0.75 MAPT (0.43) MEN1KMT2AHPGDCTSK
SCHEMBL5310934 0.73 RAB9A (0.47) RAB9AMEN1KMT2AJAK1JAK2
SCHEMBL3830737 0.72 JAK1 (0.39) RAB9AMEN1KMT2AJAK1JAK2
SCHEMBL5275189 0.72 RAB9A (0.43) RAB9AMEN1KMT2AJAK1JAK2
SCHEMBL1583252 0.72 TDP1 (0.41) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL2924030 0.71
SCHEMBL11192495 0.71 RAB9A (0.48) RAB9AP2RX4POLBDPP4
SCHEMBL34474060 0.70 POLB (0.45) LMNAHRH2HRH1POLBDPP4
SCHEMBL13416523 0.70

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