SCHEMBL2857696

SCHEMBL2857696

CC1CCCCC(CCC(C(=O)O)C(=O)O)C1CCC(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.33
GRIN3B O60391 5/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2A Q12879 5/20 0.33
GRIN2B Q13224 5/20 0.33
GRIN2C Q14957 5/20 0.33
GRIN3A Q8TCU5 5/20 0.33
EPHX1 P07099 1/20 0.32
HMGCR P04035 3/20 0.31
MME P08473 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL2858732 0.97 HMGCR (0.33) HMGCR
SCHEMBL2861218 0.89 HMGCR (0.37) HMGCR
SCHEMBL2857741 0.87 HMGCR (0.34) HMGCR
SCHEMBL2858822 0.85 EPHX1 (0.32) EPHX1HMGCRUSP2
SCHEMBL2851373 0.84 HMGCR (0.40) HMGCRMME
SCHEMBL2854537 0.84 TBXA2R (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2853479 0.84 TBXA2R (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2854082 0.83 PTGS1 (0.30)
SCHEMBL2849639 0.81 HMGCR (0.34) HMGCR
SCHEMBL2861029 0.81 GRIN2D (0.43) 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