SCHEMBL2857796

SCHEMBL2857796

O=C(O)C(CCC1CCCCCC1CCC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.42
GRIN3B O60391 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
GRIN2B Q13224 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN3A Q8TCU5 5/20 0.42
HMGCR P04035 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2D6 P10635 1/20 0.33
GRIK1 P39086 1/20 0.33
METAP1 P53582 1/20 0.33
MME P08473 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL2861029 0.98 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2859871 0.93 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2857942 0.84 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2854426 0.84 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2857134 0.84 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28014935 0.82 METAP1 (0.50) SLC1A3SLC1A2SLC1A1METAP1EPHX1
SCHEMBL2858020 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2852591 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2855923 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2854093 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-8822366-B2 Solid titanium catalyst component, catalyst for olefin polymerization and process for polymerizing olefin MITSUI CHEMICALS, INC. (JP) 2014-09-02 US disclosed
EP-2206731-B1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD MITSUI CHEMICALS INC (JP) 2013-08-28 EP disclosed
US-20100227991-A1 SOLID TITANIUM CATALYST COMPONENT, CATALIST FOR OLEFIN POLYMERIZATION AND PROCESS FOR POLYMERIZING OLEFIN MITSUI CHEMICALS, INC. (JP) 2010-09-09 US disclosed
EP-2206731-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2010-07-14 EP disclosed