SCHEMBL2861176

SCHEMBL2861176

CC(C)C(C(=O)O)(C(=O)O)C1CCCC1C(C(=O)O)(C(=O)O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 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
ACE P12821 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
SCHEMBL2854415 0.95 KEAP1 (0.33) CYP1A2CYP2D6GRM2GRM3
SCHEMBL2855828 0.93 EPHX1 (0.33) CYP1A2CYP2D6GRM2GRM3
SCHEMBL2859860 0.87 EPHX1 (0.31)
SCHEMBL2857707 0.80 HPGD (0.31)
SCHEMBL2857804 0.78 KEAP1 (0.32)
SCHEMBL2856653 0.78
SCHEMBL2851512 0.77 CYP2D6 (0.31) CYP1A2CYP2D6GRM2GRM3
SCHEMBL28004680 0.77 KEAP1 (0.37)
SCHEMBL2853794 0.77 TAS1R3 (0.34)
SCHEMBL2851455 0.77

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