SCHEMBL6908239

SCHEMBL6908239

CCc1cc2cccc(C(C)C)cc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
PTGS2 P35354 1/20 0.47
PTPN5 P54829 3/20 0.46
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BCL2 P10415 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MDM4 O15151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL25909341 0.87 RXRA (0.56) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL5352034 0.83 RXRA (0.62) RXRARXRBRXRGPTPN5CTSS
SCHEMBL8676319 0.81 RXRA (0.56) RXRARXRBRXRGPTPN5CTSS
SCHEMBL598181 0.81 RXRA (0.66) RXRARXRBRXRGPTPN5CTSS
SCHEMBL6913011 0.80 RXRA (0.49) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL598569 0.79 CYP1A2 (0.45) RXRARXRBRXRGPTGS2BCL2
SCHEMBL31190190 0.79 CYP1A2 (0.45) RXRARXRBRXRGPTGS2BCL2
SCHEMBL25909479 0.79 RXRA (0.47) RXRARXRBRXRGPTGS2PTPN5
Ethane SCHEMBL6908245 0.79 RXRA (0.63) RXRARXRBRXRGPTPN5CTSS
SCHEMBL17810268 0.78 PTGS2 (0.56) RXRARXRBRXRGPTGS2PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100436490-C Polymerization catalyst for alpha-olefin, novel transition metal compound and catalyst component, and process for producing polymer MITSUBISHI CHEM CORP (JP) 2008-11-26 CN disclosed
US-6825371-B2 CATALYST FOR POLYMERIZATION OF ALPHA -OLEFIN, WHICH COMPRISES: AN ESSENTIAL COMPONENT (A) OF A TRANSITION METAL COMPOUND, AN ESSENTIAL COMPONENT (B) OF AN ION EXCHANGEABLE LAYER COMPOUND EXCEPT FOR SILICATE, OR AN INORGANIC SILICATE, AND OPTIONAL MITSUBISHI CHEMICAL CORPORATION (JP) 2004-11-30 US disclosed
US-20030166459-A1 Catalysts for polymerization of alpha-olefins, process for producing alpha-olefin polymers, novel transition metal compounds and catalyst components for polymerization of alpha-olefin MITSUBISHI CHEMICAL CORPORATION 2003-09-04 US disclosed
US-6590045-B2 An alpha-olefin polymerization catalysts consists of a transition metal compound; an ion exchangable layer compound except for silicate, or an inorganic silicate MITSUBISHI CHEMICAL CORPORATION (JP) 2003-07-08 US disclosed
EP-1312619-A2 Catalyst for the polymerisation of alpha olefins Mitsubishi Chemical Corporation (JP) 2003-05-21 EP disclosed
US-20020045535-A1 Catalysts for polymerization of alpha-olefins, process for producing alpha-olefin polymers, novel transition metal compounds and catalyst components for polymerization of alpha-olefin MITSUBISHI CHEMICAL CORPORATION. 2002-04-18 US disclosed
US-6344530-B2 POLYMERIZATION CATALYST OF A TRANSITION METAL COMPOUND, AN ION EXCHANGEABLE LAYER OR AN INORGANIC SILICATE AND AN ORGANOALUMINUM COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-05 US disclosed
US-6340652-B1 AS POLYMERIZATION CATALYST MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-22 US disclosed
US-20010034425-A1 Process for producing alpha-olefin polymers MITSUBISHI CHEMICAL CORPORATION 2001-10-25 US disclosed
US-6252097-B1 Transition metal compounds MITSUBISHI CHEMICAL CORPORATION (JP) 2001-06-26 US disclosed
CN-1189506-A Catalyst for polymerizing alpha-olefin, process for producing alpha-olefin polymer, novel transition metal compound for polymerizing alpha-olefin and catalyst component MITSUBISHI CHEM CORP (JP) 1998-08-05 CN disclosed
EP-0846696-A1 Catalyst for polymerization of alpha-olefins Mitsubishi Chemical Corporation (JP) 1998-06-10 EP disclosed