SCHEMBL570531

SCHEMBL570531

CCCC[Si](C)(C)OC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 2/20 0.36
DGKA P23743 1/20 0.33
EPHX1 P07099 3/20 0.32
ACHE P22303 2/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
DNM1 Q05193 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
PAM P19021 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
SCHEMBL6545806 0.87 TSHR (0.39) ALDH1A1DGKACES2CES1CA12
SCHEMBL2599070 0.85 ALDH1A1 (0.44) ALDH1A1DGKACES2CES1CA12
SCHEMBL14735468 0.85 CES1 (0.41) ALDH1A1DGKACES2CES1LMNA
SCHEMBL6546145 0.85 TSHR (0.44) NAAAALDH1A1DGKACES2CES1
SCHEMBL4643789 0.85 MAPT (0.32) NAAAALDH1A1DGKAEPHX1ACHE
SCHEMBL4645281 0.83 FAAH (0.35) ALDH1A1EPHX1ACHECA12CA14
SCHEMBL4642164 0.83 NAAA (0.31) NAAAALDH1A1DGKAEPHX1ACHE
SCHEMBL28667183 0.82 CES2 (0.35) ALDH1A1EPHX1ACHECES2CES1
SCHEMBL28423837 0.82 DGKA (0.52) ALDH1A1DGKACES2CES1LMNA
SCHEMBL4643559 0.82 NAAA (0.39) NAAAALDH1A1DGKAACHECES2

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-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2010132768-A9 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2010147836-A9 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2011044503-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044498-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 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-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
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