SCHEMBL2772788

SCHEMBL2772788

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD11B2 P80365 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTPRC P08575 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CCKBR P32239 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
SCHEMBL2770869 0.76 GAA (0.49) ALDH1A1KMT2AEPHX2
SCHEMBL2770955 0.76 GAA (0.49) ALDH1A1KMT2AEPHX2
SCHEMBL570857 0.76 ABCB1 (0.34) HRH3HSD11B2ABCB1L3MBTL1PTPRC
SCHEMBL7362950 0.75 MAOA (0.51) ALDH1A1KMT2ACCKBR
SCHEMBL7380787 0.74 EPHX1 (0.38) HRH3ALDH1A1KMT2AHSD11B2ABCB1
SCHEMBL7054954 0.73 HRH3 (0.34) HRH3ALDH1A1KMT2AHSD11B2ABCB1
SCHEMBL5370358 0.72 HSD11B2 (0.37) HRH3ALDH1A1KMT2AHSD11B2ABCB1
SCHEMBL9725990 0.72 CA1 (0.50) KMT2A
SCHEMBL23759208 0.72 HRH3 (0.39) HRH3ALDH1A1L3MBTL1
SCHEMBL11366947 0.71 BTK (0.45) HRH3KMT2AL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN 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-2010132777-A2 TREATMENT OF URINARY TRACT 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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