SCHEMBL1838103

SCHEMBL1838103

COC(C)NC(C)OC.O=C(O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL1838097 1.00 KDM4E (0.45) KDM4EHPGDHSD17B10CA12CA1
SCHEMBL2532426 0.89 ALDH1A1 (0.41) KDM4EHPGDHSD17B10CA12CA1
SCHEMBL2532423 0.89 ALDH1A1 (0.41) KDM4EHPGDHSD17B10CA12CA1
SCHEMBL1831413 0.84 ALDH1A1 (0.53) KDM4EHPGDHSD17B10ALDH1A1MAPT
Salicylic Acid SCHEMBL1835748 0.81 HPGD (0.60) KDM4EHPGDHSD17B10CA12CA1
SCHEMBL1834432 0.80 POLB (0.47) KDM4EHPGDHSD17B10ALDH1A1ALOX15
SCHEMBL2533420 0.80 ALDH1A1 (0.61) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL1666447 0.78 TSHR (0.52) KDM4EHPGDHSD17B10CA12CA1
SCHEMBL23288 0.77 ALDH1A1 (0.63) KDM4EHPGDHSD17B10CA12CA1
SCHEMBL711798 0.77 ALDH1A1 (0.63) KDM4EHPGDHSD17B10CA12CA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed