SCHEMBL2857741

SCHEMBL2857741

CC1CCCC(CCC(C(=O)O)C(=O)O)C(CCC(C(=O)O)C(=O)O)C1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.34
JAK2 O60674 1/20 0.31
MITF O75030 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
PTGS1 P23219 7/20 0.30
PTGS2 P35354 6/20 0.30
MT-CO1 P00395 1/20 0.30
MT-CO2 P00403 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2853488 0.90 HMGCR (0.36) HMGCR
SCHEMBL2858732 0.90 HMGCR (0.33) HMGCRPTGS1PTGS2MT-CO1MT-CO2
SCHEMBL2857696 0.87 GRIN2D (0.33) HMGCR
SCHEMBL2856379 0.85 TBXA2R (0.30)
SCHEMBL2851424 0.85 TBXA2R (0.30)
SCHEMBL2858822 0.83 EPHX1 (0.32) HMGCR
SCHEMBL2852594 0.81
SCHEMBL2851373 0.81 HMGCR (0.40) HMGCR
SCHEMBL2861218 0.80 HMGCR (0.37) HMGCR
SCHEMBL2859871 0.78 GRIN2D (0.40) HMGCRPTGS1PTGS2MT-CO1MT-CO2

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