SCHEMBL1308246

SCHEMBL1308246

O=C(O)c1cccc([Hg]O)c1OS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 2/20 0.37
MMP2 P08253 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9766397 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL28244595 0.77 PRNP (0.42) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL6064531 0.77 ALOX15 (0.42) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL28057527 0.77 ALB (0.50) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL11651045 0.77 MMP2 (0.50) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL28861367 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDMAPK1
Hydrazine SCHEMBL9314976 0.74 F2 (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL28776561 0.73 CLCN2 (0.44) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL28852317 0.73 MRGPRX4 (0.38) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL28122212 0.73 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932687-B2 High throughput screening of crystallization of materials CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-04-03 US disclosed
US-20160184824-A1 HIGH THROUGHPUT SCREENING OF CRYSTALLIZATION OF MATERIALS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
US-9205423-B2 High throughput screening of crystallization of materials CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-12-08 US disclosed
US-8709153-B2 Microfludic protein crystallography techniques CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-04-29 US disclosed
US-20140041727-A1 HIGH THROUGHPUT SCREENING OF CRYSTALLIZATION OF MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
EP-1392484-B1 HIGH THROUGHPUT SCREENING OF CRYSTALIZATION OF MATERIALS CALIFORNIA INST OF TECHN (US) 2013-06-12 EP disclosed
US-8382896-B2 High throughput screening of crystallization materials CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-02-26 US disclosed
US-20120241015-A1 Microfluidic Protein Crystallography Techniques NATIONAL INSTITUTES OF HEALTH 2012-09-27 US disclosed
US-20110306522-A1 MICROFLUIDIC PROTEIN CRYSTALLOGRAPHY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-12-15 US disclosed
US-8052792-B2 Microfluidic protein crystallography techniques CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-11-08 US disclosed
WO-2005056813-A2 MICROFLUIDIC PROTEIN CRYSTALLOGRAPHY TECHNIQUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-06-23 WO disclosed
US-20050062196-A1 Microfluidic protein crystallography techniques CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-03-24 US disclosed
US-20050019794-A1 Crystal growth devices and systems, and methods for using same FLUIDIGM CORPORATION (US) 2005-01-27 US disclosed
WO-2004104228-A1 MICROFLUIDIC PROTEIN CRYSTALLOGRAPHY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-12-02 WO disclosed
WO-2004094020-A2 CRYSTAL GROWTH DEVICES AND SYSTEMS, AND METHODS FOR USING SAME FLUIDIGM CORPORATION (US) 2004-11-04 WO disclosed
EP-1392484-A4 HIGH THROUGHPUT SCREENING OF CRYSTALIZATION OF MATERIALS CALIFORNIA INST OF TECHN (US) 2004-07-28 EP disclosed
US-20040115731-A1 Microfluidic protein crystallography CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-06-17 US disclosed
EP-1392484-A2 HIGH THROUGHPUT SCREENING OF CRYSTALIZATION OF MATERIALS California Institute of Technology (US) 2004-03-03 EP disclosed
US-20030061687-A1 High throughput screening of crystallization materials CALIFORNIA INSTITUTE OF TECHNOLOGY, A CALIFORNIA CORPORATION 2003-04-03 US disclosed
WO-2002082047-A2 HIGH THROUGHPUT SCREENING OF CRYSTALLIZATION OF MATERIALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-17 WO disclosed