SCHEMBL710253

SCHEMBL710253

O=C(CF)C(F)(F)C(=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTPN1 P18031 1/20 0.47
MMP3 P08254 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CDC25B P30305 2/20 0.44
PLK1 P53350 1/20 0.44
PLA2G2D Q9UNK4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
GMNN O75496 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42

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
SCHEMBL1827963 0.79 PLA2G2D (0.63) NR4A1NR4A2NR4A3PTPN1MMP3
SCHEMBL29645052 0.79 PLA2G2D (0.63) NR4A1NR4A2NR4A3PTPN1MMP3
SCHEMBL5873186 0.78 CNR1 (0.41) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL4598908 0.78 CES2 (0.48) PTPN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL29035956 0.78 NR4A1 (0.57) NR4A1NR4A2NR4A3PTPN1MMP3
SCHEMBL5446678 0.77 ERCC5 (0.41) ALDH1A1HPGDKMT2AKDM4ELMNA
SCHEMBL28352835 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3PTPN1MMP3
SCHEMBL10357836 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3PTPN1MMP3
SCHEMBL5221184 0.75 PTPN1 (0.67) NR4A1NR4A2NR4A3PTPN1MMP3
SCHEMBL31360351 0.75 PTPN1 (0.67) NR4A1NR4A2NR4A3PTPN1MMP3

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 107 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
EP-2504423-A1 MULTI-PURPOSE SUBSTRATES USEFUL FOR CELL CULTURE AND METHODS FOR MAKING AND USING THE SAME Corning Incorporated (US) 2012-10-03 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
WO-2002091493-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2002-11-14 WO disclosed
WO-2002090466-A1 ELECTROLUMINESCENT DEVICES ELAM-T LIMITED (GB) 2002-11-14 WO disclosed
WO-2002087283-A1 ELECTROLUMINESCENT DEVICES INCORPORATING MIXED METAL ORGANIC COMPLEXES ELAM-T LIMITED (GB) 2002-10-31 WO disclosed
WO-2002086015-A2 MIXED METAL ORGANIC COMPLEXES ELAM-T LIMITED (GB) 2002-10-31 WO disclosed
WO-2002075820-A1 ELECTROLUMINESCENT DEVICES ELAM-T LIMITED (GB) 2002-09-26 WO disclosed
WO-2002043447-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2002-05-30 WO disclosed
WO-2002043446-A1 ELECTROLUMINESCENT DEVICE ELAM-T LIMIED (GB) 2002-05-30 WO disclosed
WO-2002043444-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2002-05-30 WO disclosed
US-20010055776-A1 High throughput cell-based assay kits GREENWALT DALE (US) 2001-12-27 US disclosed