SCHEMBL2770955

SCHEMBL2770955

C=C1CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ CTSK P43235 2/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL2770869 1.00 GAA (0.49) GAANFKB1NFKB2RELABTK
SCHEMBL16782405 0.89 GAA (0.46) GAANFKB1NFKB2RELABTK
SCHEMBL3621203 0.81 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL2771992 0.81 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL20247692 0.78 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL12898199 0.77 GAA (0.45) GAANFKB1NFKB2RELABTK
SCHEMBL27022473 0.76 GAA (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL509416 0.76 BTK (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL19082697 0.76 GAA (0.46) GAANFKB1NFKB2RELABTK
SCHEMBL2772788 0.76 HRH3 (0.34) ALDH1A1KMT2AEPHX2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010147836-A1 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-12-23 — — WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
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
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 — — EP disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 — — WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 — — WO disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 — — WO disclosed
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