SCHEMBL248079

SCHEMBL248079

CCC(CC)C(=O)C(CCCCCC(C)C)OOC(CCCCCC(C)C)C(=O)C(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.35
CA1 P00915 4/20 0.35
MAPK1 P28482 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
BLM P54132 1/20 0.32
LMNA P02545 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL2332072 0.73 CA2 (0.38) CA2CA1MAPK1BLMLMNA
SCHEMBL4624195 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL7782170 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL5879040 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL10816802 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL5878864 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL28744317 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL8028607 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL6363268 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1
SCHEMBL5878849 0.72 CA2 (0.65) CA2CA1MAPK1BLMGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588502-B1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION NOURYON CHEMICALS INT BV (NL) 2021-03-31 EP disclosed
US-8987391-B2 Polymerization process with in-situ initiator formation AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-03-24 US disclosed
US-20130211019-A1 Polymerization Process with In-Situ Initiator Formation AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-08-15 US disclosed
EP-2588502-A1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION Akzo Nobel Chemicals International B.V. (NL) 2013-05-08 EP disclosed
WO-2012000916-A1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-01-05 WO disclosed