SCHEMBL2852629

SCHEMBL2852629

CCCC1CCCC(C)C(CC(C(=O)O)C(=O)O)C1CC(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
MME P08473 1/20 0.34
GRIN2D O15399 5/20 0.31
GRIN3B O60391 5/20 0.31
GRIN1 Q05586 5/20 0.31
GRIN2A Q12879 5/20 0.31
GRIN2B Q13224 5/20 0.31
GRIN2C Q14957 5/20 0.31
GRIN3A Q8TCU5 5/20 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
SCHEMBL2855829 0.90 HMGCR (0.42) HMGCRCA1CA2CA4MME
SCHEMBL2856522 0.85 EPHX1 (0.34) CA1CA2CA4
SCHEMBL2851373 0.83 HMGCR (0.40) HMGCRCA1CA2CA4MME
SCHEMBL2855861 0.82 CA1 (0.32) HMGCRCA1CA2CA4
SCHEMBL2858788 0.82 PTGS1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2853496 0.81 HMGCR (0.36) HMGCRCA1CA2CA4MME
SCHEMBL2858214 0.79 ALOX5 (0.46)
SCHEMBL2861763 0.79 HMGCR (0.35) HMGCRCA1CA2CA4MME
SCHEMBL2858183 0.79 HMGCR (0.35) HMGCRCA1CA2CA4MME
SCHEMBL2856495 0.79 HMGCR (0.35) HMGCRCA1CA2CA4MME

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