SCHEMBL6906377

SCHEMBL6906377

C1=CCC([Zr+2]C2=CC=CC2)=C1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 2/20 0.33
PSIP1 O75475 1/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
Hydrochloric Acid SCHEMBL7196795 0.98 L3MBTL1 (0.33) L3MBTL1HTR6PSIP1ACHECYP3A4
SCHEMBL618833 0.87 GAA (0.39) ACHECYP3A4CYP2D6CYP2C9CYP2C19
Benzene SCHEMBL7642237 0.82
SCHEMBL618401 0.80
Phenol SCHEMBL4433843 0.77
SCHEMBL9079264 0.77
SCHEMBL9149166 0.75
Trifluoromethanesulfonic Acid SCHEMBL618219 0.74 GPR3 (0.33) ACHE
SCHEMBL8663013 0.73
Water SCHEMBL9888411 0.73 HTR6 (0.52) L3MBTL1HTR6PSIP1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839842-B1 Film made from an Ethylene-alpha-olefin copolymer MITSUBISHI CHEM CORP (JP) 2004-04-14 EP disclosed
EP-0974601-B1 Olefin polymerization catalyst and process for producing olefin polymer JAPAN POLYCHEM CORP (JP) 2003-09-10 EP disclosed
US-6448356-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION; CONTROLLING DENSITY MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-10 US disclosed
US-6444763-B1 Polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-03 US disclosed
US-6376416-B1 COORDINATION POLYMERIZATION CATALYSTS JAPAN POLYCHEM CORPORATION (JP) 2002-04-23 US disclosed
US-20020035227-A1 Ethylene-alpha-olefin copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-21 US disclosed
EP-0683180-B1 Catalyst for polymerizing an olefin and method for polymerizing the olefin MITSUBISHI CHEM CORP (JP) 2002-03-06 EP disclosed
EP-0874006-B1 Phyllosilicate-supported catalyst for the polymerisation of olefins MITSUBISHI CHEM CORP (JP) 2001-08-08 EP disclosed
WO-2000069959-A2 POLYMER LAYERED INORGANIC NANOCOMPOSITES NATIONAL INSTITUTE OF STANDARDS & TECHNOLOGY (US) 2000-11-23 WO disclosed
US-6048817-A Polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-11 US disclosed
EP-0974601-A2 Olefin polymerization catalyst and process for producing olefin polymer Japan Polychem Corporation (JP) 2000-01-26 EP disclosed
US-5973084-A HOMO OR COPOLYMERIZING AN ALPHA-OLEFIN IN PRESENCE OF A CATALYTIC SYSTEM CONTAINING METALLOCENE TYPE TRANSITIONAL METAL COMPOUND, AN ION EXCHANGED LAYERED COMPOUND OTHER THAN SILICATE AND AN INORGANIC ACID OR SALT TREATED SILICATE MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-26 US disclosed
US-5928982-A METALLOCENE TRANSITION METAL COMPOUND, (1) AN ION-EXCHANGING LAYERED COMPOUND OTHER THAN A SILICATE OR (2) AN INORGANIC SILICATE PREPARED BY TREATING A STARTING ION-EXCHANGING LAYER COMPOUND OTHER THAN A SILICATE OR A STARTING SILICATE WITH A MITSUBISHI CHEMICAL CORPORATION (JP) 1999-07-27 US disclosed
EP-0874006-A1 Polymerisation of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1998-10-28 EP disclosed
EP-0839842-A2 Ethylene-alpha-olefin copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-06 EP disclosed
EP-0683180-A2 Catalyst for polymerizing an olefin and method for polymerizing the olefin MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-22 EP disclosed