SCHEMBL27812596

SCHEMBL27812596

CCCOC(=O)CCC(CC)C(=O)OCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
DGKA P23743 1/20 0.42
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL14199952 0.92 DGKA (0.45) CA2CA1DGKACYP3A4TSHR
SCHEMBL30746787 0.87 CA2 (0.52) CA2CA1DGKACYP3A4TSHR
SCHEMBL494623 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL494487 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL494325 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL495155 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL496085 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL494941 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL495817 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR
SCHEMBL495253 0.86 DGKA (0.55) CA2CA1DGKACYP3A4TSHR

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
CN-101983211-B Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS INC 2013-05-29 CN disclosed
CN-101842396-B Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method MITSUI CHEMICALS INC 2013-03-20 CN disclosed
CN-101983211-A Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS INC 2011-03-02 CN disclosed
CN-101842396-A Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method MITSUI CHEMICALS INC 2010-09-22 CN disclosed