SCHEMBL4074776

SCHEMBL4074776

CC(C)(C)c1cc([O-])c(Cl)c(C(C)(C)C)c1.[Zr+]

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 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
SCHEMBL25468636 0.82 GABRA1 (0.42) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL17594503 0.76 POLB (0.44) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL1042661 0.72 GABRA1 (0.34) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL7058213 0.72 ALDH1A1 (0.46) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL1042021 0.72 GABBR2 (0.36) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL7177257 0.70 GABRA1 (0.40) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL2638545 0.70 GABRA1 (0.40) GABRA1GABRB2POLBHSP90AA1KDM4E
Potassium Ion SCHEMBL11494507 0.70 GABRA1 (0.40) GABRA1GABRB2POLBHSP90AA1KDM4E
SCHEMBL7179397 0.70 GABRA1 (0.40) GABRA1GABRB2POLBHSP90AA1KDM4E
Lithium Ion SCHEMBL3626995 0.70 GABRA1 (0.40) GABRA1GABRB2POLBHSP90AA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086146-A1 CATALYST SYSTEM TARGOR GmbH (DE) 2001-03-28 EP claimed
WO-1999061488-A1 CATALYST SYSTEM TARGOR GMBH (DE) 1999-12-02 WO claimed
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
EP-1480987-B1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE HOLDING GMBH (DE) 2009-07-29 EP disclosed
EP-1992630-A1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins Celanese Holding GmbH (DE) 2008-11-19 EP disclosed
EP-1396495-B1 Metallocenes with a single halogenide attached to the metal BASELL POLYOLEFINE GMBH (DE) 2007-01-17 EP disclosed
EP-1250363-B1 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-08-30 EP disclosed
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
EP-1082353-B1 CATALYST SYSTEM AND THE USE OF SAID CATALYST SYSTEM FOR POLYMERISING PROPYLENE BASELL POLYOLEFINE GMBH (DE) 2006-02-22 EP disclosed
EP-1272532-B1 SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-05-04 EP disclosed
EP-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP disclosed
EP-1396495-A1 Metallocenes with a single halogenide attached to the metal Basell Polyolefine GmbH (DE) 2004-03-10 EP disclosed
EP-1175262-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2004-02-18 EP disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO disclosed
EP-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 WO disclosed