SCHEMBL1308799

SCHEMBL1308799

CC(=O)[Hg]SOc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 6/20 0.54
HPGD P15428 5/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
TSHR P16473 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.45

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
SCHEMBL144897 0.80 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL3134927 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL6304663 0.78 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL3682302 0.77 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL212177 0.77 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL29402606 0.76 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
Ammonia Solution, Strong SCHEMBL28040604 0.75 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL3022599 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL11358522 0.74 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL11108804 0.73 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDESR1

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