SCHEMBL2532426

SCHEMBL2532426

COC(C)NC(C)OC.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
AKR1C2 P52895 5/20 0.35
AKR1C3 P42330 4/20 0.35
CDC25B P30305 1/20 0.35
ASPH Q12797 3/20 0.35
KDM8 Q8N371 3/20 0.35
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL2532423 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL1838097 0.89 KDM4E (0.45) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL1838103 0.89 KDM4E (0.45) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL1831413 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
Salicylic Acid SCHEMBL1835748 0.77 HPGD (0.60) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL28059998 0.76 CA12 (0.47) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL2533420 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL1834432 0.76 POLB (0.47) ALDH1A1KDM4EHSD17B10HPGDPOLB
Benzoic Acid SCHEMBL1832941 0.76 TSHR (0.54) KDM4EHSD17B10HPGDCA1CA2
SCHEMBL1834143 0.76 KDM4E (0.35) ALDH1A1KDM4EHSD17B10CA12CA1

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 10 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
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed