SCHEMBL6915325

SCHEMBL6915325

Cc1cc2ccc(C(C)C)ccc-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PTGS1 P23219 2/20 0.43
TRPA1 O75762 1/20 0.43
CACNA1C Q13936 1/20 0.43
TYR P14679 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NOTUM Q6P988 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
KIF11 P52732 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PTPN5 P54829 2/20 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
P-Cymene SCHEMBL8393048 0.81 ACHE (0.48) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL1132573 0.81 KIF11 (0.45) LMNATYRNPC1RAB9ANOTUM
SCHEMBL2692675 0.81 HDAC3 (0.40) LMNAPTGS1TRPA1CACNA1CNPC1
SCHEMBL197335 0.80 KIF11 (0.52) LMNATYRNPC1RAB9ANOTUM
SCHEMBL3819772 0.80 LMNA (0.38) LMNAPTGS1TRPA1CACNA1CTYR
Iodide SCHEMBL30804631 0.79 KIF11 (0.44) LMNATYRNPC1RAB9ANOTUM
Iodide SCHEMBL28367770 0.79 KIF11 (0.44) LMNATYRNPC1RAB9ANOTUM
P-Cymene SCHEMBL1143 0.77 ACHE (0.53) LMNAPTGS1TRPA1CACNA1CTYR
P-Cymene SCHEMBL1697748 0.77 ACHE (0.53) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL29628971 0.77 RXRA (0.53) PTGS2KIF11PTPN5RXRARXRB

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