SCHEMBL3838993

SCHEMBL3838993

CC(=O)OC(C)Oc1ccc(OC(C)OC(C)=O)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CREBBP Q92793 1/20 0.36
POLB P06746 2/20 0.35
USP2 O75604 2/20 0.34
PARP10 Q53GL7 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL10063720 0.80 POLB (0.46) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL28045207 0.80 CYP19A1 (0.42) ALDH1A1KMT2APOLBPARP10NPC1
SCHEMBL2746365 0.76 FFAR4 (0.40) SMN1; SMN2
SCHEMBL9170714 0.76 PDK1 (0.48) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL10063818 0.75 MTNR1A (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9658504 0.74 TAS1R3 (0.53) ALDH1A1MAPTPARP10NPC1RAB9A
SCHEMBL13763456 0.74 LMNA (0.53) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL6836501 0.73 PARP10 (0.66) ALDH1A1KMT2APOLBPARP10
SCHEMBL10063817 0.73 KMT2A (0.47) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL8414849 0.73 ALDH1A1 (0.48) ALDH1A1MEN1MAPTTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506260-B1 TRISAZO DYES FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2009-10-07 EP disclosed
US-7056376-B2 Printing process using specified AZO compounds AVECIA LIMITED (GB) 2006-06-06 US disclosed
EP-1516021-B1 PRINTING PROCESS USING SPECIFIED AZO COMPOUNDS FUJIFILM IMAGING COLORANTS LTD (GB) 2006-05-17 EP disclosed
US-7041161-B2 Trisazo dyes for ink jet printing AVECIA LIMITED (GB) 2006-05-09 US disclosed
EP-1068251-B1 COLOURED POLYURETHANES AVECIA INKJET LTD (GB) 2005-10-19 EP disclosed
US-20050200671-A1 Trisazo dyes for ink jet printing AVECIA INKJET LIMITED (GB) 2005-09-15 US disclosed
EP-1516021-A1 PRINTING PROCESS USING SPECIFIED AZO COMPOUNDS Avecia Limited (GB) 2005-03-23 EP disclosed
EP-1506260-A1 TRISAZO DYES FOR INK JET PRINTING Avecia Limited (GB) 2005-02-16 EP disclosed
US-20040020404-A1 Printing process using specified AZO compounds AVECIA LIMITED 2004-02-05 US disclosed
WO-2003106572-A1 PRINTING PROCESS USING SPECIFIED AZO COMPOUNDS AVECIA LIMITED (GB) 2003-12-24 WO disclosed
WO-2003095563-A1 TRISAZO DYES FOR INK JET PRINTING AVECIA LIMITED (GB) 2003-11-20 WO disclosed
US-6632858-B1 Polyurethane obtainable from the reaction of a polyisocyanate, a compound providing water-dispersing groups and a colorant having at least two functional groups AVECIA LIMITED (GB) 2003-10-14 US disclosed
EP-1068251-A1 COLOURED POLYURETHANES Avecia Limited (GB) 2001-01-17 EP disclosed
WO-1999050326-A1 COLOURED POLYURETHANES AVECIA LIMITED (GB) 1999-10-07 WO disclosed