SCHEMBL2856522

SCHEMBL2856522

CC1CCCC(C)C(CC(C(=O)O)C(=O)O)C1CC(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
USP2 O75604 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
JAK2 O60674 1/20 0.31
MITF O75030 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
LTA4H P09960 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 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
SCHEMBL2857816 0.91
SCHEMBL2858788 0.88 PTGS1 (0.33) EPHX1
SCHEMBL2852629 0.85 HMGCR (0.38) CA1CA2CA4
SCHEMBL2855911 0.84 EPHX1 (0.34) EPHX1USP2CA1CA2CA4
SCHEMBL2861061 0.83 GRIN2D (0.33) EPHX1USP2CA1CA2CA4
SCHEMBL2862790 0.83 GRIN2D (0.33) EPHX1USP2CA1CA2CA4
SCHEMBL2853914 0.82
SCHEMBL2852642 0.81 JAK2 (0.33) JAK2MITFSMN1; SMN2TAS1R3TAS1R1
SCHEMBL2855943 0.79
SCHEMBL2858822 0.79 EPHX1 (0.32) EPHX1USP2

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