SCHEMBL571049

SCHEMBL571049

CC(C)(C)OC(=O)NC(O)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
GAA P10253 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 6/20 0.41
CTSS P25774 2/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.40
AAK1 Q2M2I8 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6512296 0.96 GAA (0.46) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL571434 0.93 CA1 (0.43) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL14923610 0.83 BTK (0.45) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL14931125 0.83 BTK (0.45) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL24388748 0.83 BTK (0.45) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL22506436 0.79 GAA (0.44) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL20470280 0.79 GAA (0.44) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL22535888 0.79 GAA (0.44) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL8281707 0.79 BTK (0.49) BTKGAAHDAC4HDAC1HDAC6
SCHEMBL1294357 0.79 BTK (0.49) BTKGAAHDAC4HDAC1HDAC6

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188175-B Treatment of klebsiella pneumoniae infections with antibacterial aminoglycoside compounds 轩竹(北京)医药科技有限公司 2020-08-11 CN disclosed
CN-103360440-B Antibacterial aminoglycoside analogs 尔察祯有限公司 2016-08-31 CN disclosed
CN-103360440-A Antibacterial aminoglycoside analogs ACHAOGEN INC 2013-10-23 CN disclosed
CN-101868472-B Antibacterial aminoglycoside analogs ACHAOGEN INC 2013-05-29 CN disclosed
EP-2486044-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2012-08-15 EP disclosed
CN-102596981-A Antibacterial aminoglycoside analogs ACHAOGEN INC 2012-07-18 CN disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 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-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
CN-101868472-A Antibacterial aminoglycoside analogs ACHAOGEN INC 2010-10-20 CN disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed