SCHEMBL2906920

SCHEMBL2906920

CC(C)(C)OC(=O)CN1CCNC(CCO)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
PLA2G10 O15496 2/20 0.35
PLA2G5 P39877 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
NR1H2 P55055 1/20 0.31
MAPT P10636 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
SCHEMBL16826797 0.89 BIRC2 (0.38) BIRC2PLA2G10PLA2G5SIGMAR1NR1H2
SCHEMBL16854473 0.89 BIRC2 (0.38) BIRC2PLA2G10PLA2G5SIGMAR1NR1H2
SCHEMBL4960304 0.82 BIRC2 (0.35) BIRC2PLA2G10PLA2G5SIGMAR1MAPT
SCHEMBL17153062 0.81 BIRC2 (0.55) BIRC2PLA2G10PLA2G5
SCHEMBL17153080 0.78 BIRC2 (0.37) BIRC2PLA2G10PLA2G5SIGMAR1MAPT
SCHEMBL20296671 0.78 CA1 (0.45) CA1CA2CA4CA9NR1H2
SCHEMBL14720039 0.78 CA1 (0.45) CA1CA2CA4CA9NR1H2
SCHEMBL12836933 0.78 CA1 (0.45) CA1CA2CA4CA9NR1H2
SCHEMBL17153059 0.77 BIRC2 (0.38) BIRC2PLA2G10PLA2G5SIGMAR1
SCHEMBL28853916 0.76 BIRC2 (0.37) BIRC2CA1CA2CA4CA9

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
WO-2010132777-A2 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132770-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO disclosed