SCHEMBL709890

SCHEMBL709890

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
PLK1 P53350 1/20 0.46
MAPT P10636 2/20 0.44
GSK3B P49841 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8860052 0.85 CES2 (0.65) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL4102909 0.84 ALDH1A1 (0.62) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL13724641 0.81 HDAC3 (0.50) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL9770790 0.79 ALDH1A1 (0.46) CES2CES1ALDH1A1CA2GSK3B
SCHEMBL2842838 0.79 CES2 (0.57) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL4098335 0.79 ALDH1A1 (0.49) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL5685569 0.78 ALDH1A1 (0.64) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL1115093 0.76 CES2 (0.46) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL11266531 0.76 CES2 (0.57) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL2699118 0.76 CES2 (0.46) CES2CES1CYP1A2CA1CA2

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