SCHEMBL1195441

SCHEMBL1195441

CC(C)COC(=O)C1CCCCC(C)C1C(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
RAB9A P51151 2/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL1196589 0.97 RAB9A (0.37) EPHX1RAB9ATSHRTP53CYP3A4
SCHEMBL1196125 0.90 HSP90AA1 (0.36) RAB9ATSHRSMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL1195356 0.88 RAB9A (0.35) EPHX1RAB9ATSHRTP53CYP3A4
SCHEMBL1196653 0.86 RAB9A (0.41) RAB9ATSHRSMN1; SMN2ADRB2ADRB1
SCHEMBL1296916 0.86 TSHR (0.41) RAB9ATSHRTP53CYP3A4ADRB2
SCHEMBL28559550 0.84 TP53 (0.48) EPHX1RAB9ATSHRTP53CYP3A4
SCHEMBL234626 0.84 TP53 (0.48) EPHX1RAB9ATSHRTP53CYP3A4
SCHEMBL28550950 0.84 TP53 (0.48) EPHX1RAB9ATSHRTP53CYP3A4
SCHEMBL1195465 0.83 TSHR (0.39) RAB9ATSHRCYP3A4SMN1; SMN2ADRB2
SCHEMBL1170039 0.83 TP53 (0.47) EPHX1RAB9ATSHRTP53CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221320-B1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF POLYMERIZING OLEFIN MITSUI CHEMICALS INC (JP) 2017-06-21 EP disclosed
EP-1845113-B1 SOLID TITANIUM CATALYST COMPONENT, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2015-04-01 EP disclosed
US-8742040-B2 Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization process MITSUI CHEMICALS, INC. (JP) 2014-06-03 US disclosed
US-8729189-B2 Propylene-based block copolymer, composition containing the copolymer, and molded products obtained therefrom MITSUI CHEMICALS, INC. (JP) 2014-05-20 US disclosed
US-20110172353-A1 PROPYLENE-BASED BLOCK COPOLYMER, COMPOSITION CONTAINING THE COPOLYMER, AND MOLDED PRODUCTS OBTAINED THEREFROM MITSUI CHEMICALS, INC. (JP) 2011-07-14 US disclosed
EP-2330139-A1 PROPYLENE-BASED BLOCK COPOLYMER AND COMPOSITION CONTAINING SAID COPOLYMER, AND MOLDED BODY OBTAINED THEREFROM Mitsui Chemicals, Inc. (JP) 2011-06-08 EP disclosed
US-7888438-B2 A solid titanium catalyst component comprising titanium, magnesium, halogen, and a C5-C10 carbocyclic diester, and an organometallic component; moldable polyolefins having broad molecular weight distribution MITSUI CHEMICALS, INC. (JP) 2011-02-15 US disclosed
US-20100305285-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION PROCESS MITSUI CHEMICALS, INC. 2010-12-02 US disclosed
EP-2221320-A1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF POLYMERIZING OLEFIN Mitsui Chemicals, Inc. (JP) 2010-08-25 EP disclosed
US-7649062-B2 Solid titanium catalyst component, catalyst for polymerization of olefin and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2010-01-19 US disclosed
US-20090069515-A1 Solid Titanium Catalyst Component, Catalyst for Polymerization of Olefin and Process for Producing Olefin Polymer MITSUI CHEMICALS,INC. (JP) 2009-03-12 US disclosed
US-20080125555-A1 Catalyst for olefin polymerization and process for olefin polymerization MITSUI CHEMICALS, INC. (JP) 2008-05-29 US disclosed
US-20080097050-A1 Solid titanium catalyst component, catalyst for polymerization of olefin and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 US disclosed
EP-1845113-A1 SOLID TITANIUM CATALYST COMPONENT, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2007-10-17 EP disclosed