SCHEMBL709888

SCHEMBL709888

COc1ccc(C(=O)C(F)(F)C(=O)CF)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46

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
SCHEMBL9770781 0.81 CA2 (0.55) CES2CES1CA2GSK3BHDAC1
SCHEMBL22116187 0.80 CES2 (0.57) CES2CES1CA1CA2GSK3B
SCHEMBL711848 0.79 PLOD2 (0.50) CES2CES1CA1CA2
SCHEMBL1398393 0.78 CES1 (0.59) CES2CES1CA1CA2GSK3B
SCHEMBL9770874 0.78 ALDH1A1 (0.48) HDAC4HDAC6GAAALDH1A1LMNA
SCHEMBL584064 0.77 CES2 (0.43) CES2CES1CA1CA2GSK3B
SCHEMBL583454 0.77 CES1 (0.43) CES2CES1CA1CA2GSK3B
SCHEMBL583437 0.77 CES1 (0.57) CES2CES1GSK3BPARP1ALDH1A1
SCHEMBL29035966 0.77 CES2 (0.57) CES2CES1CA1CA2GSK3B
SCHEMBL9630805 0.75 CES1 (0.55) CES2CES1GSK3BALDH1A1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4857475-A Labelled and labellable reagents for fluorometric assays Ekins, Roger Philip (GB) 1989-08-15 US claimed
US-4565790-A LANTHANIDE SERIES COMPLEX, B-DIKETONE, DETERGENT WALLAC OY (FI) 1986-01-21 US claimed
US-9017962-B2 Intracellular reporters THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-28 US disclosed
EP-1943262-B1 IRE-1 ALPHA SUBSTRATES MANNKIND CORP (US) 2013-01-23 EP disclosed
US-8252549-B2 Multi-purpose substrates useful for cell culture and methods for making CORNING INCORPORATED (US) 2012-08-28 US disclosed
US-8236523-B2 Camp reporters and high throughput assays THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-07 US disclosed
US-8124343-B2 IRE-1α substrates MANNKIND CORPORATION (US) 2012-02-28 US disclosed
US-8080235-B2 Protein kinase A reporters useful in high throughput assays THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-20 US disclosed
WO-2011149743-A1 MULTIPLY FLUORESCENTLY LABELED CALCIUM PHOSPHATE-PROTEIN SURFACES CORNING INCORPORATED (US) 2011-12-01 WO disclosed
US-20110287952-A1 IRE-1alpha SUBSTRATES MANNKIND CORPORATION (US) 2011-11-24 US disclosed
US-20110275103-A1 EMISSION RATIOMETRIC REPORTERS OF MEMBRANE PDK1 ACTIVATION THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-10 US disclosed
US-20080096224-A1 Emission ratiometric indicators of phosphoinositides THE JOHNS HOPKINS UNIVERSITY (US) 2008-04-24 US disclosed
EP-1791972-A2 cAMP REPORTERS The Johns Hopkins University (US) 2007-06-06 EP disclosed
US-20070111270-A1 cAMP reporters and high throughput assays THE JOHNS HOPKINS UNIVERSITY (US) 2007-05-17 US disclosed
US-20070105123-A1 IRE-1alpha substrates MANNKIND CORPORATION (US) 2007-05-10 US disclosed
WO-2007053151-A1 IRE-1α SUBSTRATES MANNKIND CORPORATION (US) 2007-05-10 WO disclosed
WO-2007050734-A1 PROTEIN KINASE A REPORTERS USEFUL IN HIGH THROUGHPUT ASSAYS THE JOHNS HOPKINS UNIVERSITY (US) 2007-05-03 WO disclosed
WO-2006023972-A2 cAMP REPORTERS THE JOHNS HOPKINS UNIVERSITY (US) 2006-03-02 WO disclosed
US-20050250171-A1 Methods and tools for detecting collagen degradation CAMBREX BIO SCIENCE WALKERSVILLE, INC. (US) 2005-11-10 US disclosed
US-20010055776-A1 High throughput cell-based assay kits GREENWALT DALE (US) 2001-12-27 US disclosed