SCHEMBL2862680

SCHEMBL2862680

CCCC1CCC(C)C(CCC(C(=O)O)C(=O)O)C1CCC(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.46
MME P08473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL2858152 0.91 HMGCR (0.42) HMGCRMME
SCHEMBL2851373 0.91 HMGCR (0.40) HMGCRMMECA1CA2CA4
SCHEMBL2854717 0.89 HMGCR (0.37) HMGCR
SCHEMBL2857784 0.88 HMGCR (0.41) HMGCRMME
SCHEMBL2851453 0.88 HMGCR (0.41) HMGCRMME
SCHEMBL2855698 0.88 HMGCR (0.41) HMGCRMME
SCHEMBL2853784 0.88 HMGCR (0.41) HMGCRMME
SCHEMBL2861218 0.86 HMGCR (0.37) HMGCR
SCHEMBL2849639 0.86 HMGCR (0.34) HMGCRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL2861800 0.85 HMGCR (0.35) HMGCRMMECA1CA2CA4

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