SCHEMBL2858790

SCHEMBL2858790

CCCC1CC(C)C(CCCC(C(=O)O)C(=O)O)C1CCCC(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.32
PTGFR P43088 1/20 0.32
PTGER2 P43116 1/20 0.32
ALOX5 P09917 1/20 0.32
HMGCR P04035 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
CA2 P00918 2/20 0.30
TBXAS1 P24557 1/20 0.30
MAPK1 P28482 1/20 0.30
CA1 P00915 1/20 0.30
CA4 P22748 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
SCHEMBL2855648 0.94 PTGER2 (0.39) TBXA2RPTGFRPTGER2ALOX5HMGCR
SCHEMBL2854536 0.94 PTGER2 (0.39) TBXA2RPTGFRPTGER2ALOX5HMGCR
SCHEMBL2857695 0.94 PTGER2 (0.39) TBXA2RPTGFRPTGER2ALOX5HMGCR
SCHEMBL2861800 0.90 HMGCR (0.35) TBXA2RPTGFRPTGER2ALOX5HMGCR
SCHEMBL2858152 0.86 HMGCR (0.42) HMGCRMAPT
SCHEMBL2853496 0.84 HMGCR (0.36) HMGCRMAPTCA2CA1CA4
SCHEMBL2865024 0.83 TBXA2R (0.36) TBXA2RPTGFRPTGER2ALOX5ALDH1A1
SCHEMBL2856639 0.83 TBXA2R (0.36) TBXA2RPTGFRPTGER2ALOX5ALDH1A1
SCHEMBL2851453 0.81 HMGCR (0.41) TBXA2RPTGFRPTGER2ALOX5HMGCR
SCHEMBL2855698 0.81 HMGCR (0.41) TBXA2RPTGFRPTGER2ALOX5HMGCR

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