SCHEMBL279022

SCHEMBL279022

C=CC(=O)OCCOCCOC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 6/20 0.50
NR4A1 P22736 1/20 0.47
TSHR P16473 3/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 3/20 0.44
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL12795178 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2
SCHEMBL16708744 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2
SCHEMBL6872720 0.86 THRB (0.55) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2
SCHEMBL9466853 0.85 TSHR (0.63) ALDH1A1L3MBTL1CYP3A4LMNATSHR
SCHEMBL12380019 0.82 CYP3A4 (0.45) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2
SCHEMBL1009964 0.82 GAA (0.49) ALDH1A1NPSR1CYP3A4TSHRTP53
SCHEMBL228020 0.81 THRB (0.62) ALDH1A1L3MBTL1CYP3A4LMNATSHR
SCHEMBL22373606 0.81 USP2 (0.42) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2
SCHEMBL7548467 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2
SCHEMBL11994240 0.80 NR4A1 (0.39) ALDH1A1L3MBTL1NPSR1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed
US-9718971-B2 Curable liquids and inkjet inks for food packaging applications AGFA GRAPHICS NV (BE) 2017-08-01 US disclosed
US-9416287-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-08-16 US disclosed
US-9416287-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-08-16 US disclosed
US-9249321-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-02-02 US disclosed
US-9249321-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2016-02-02 US disclosed
US-20150050427-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA NV (BE) 2015-02-19 US disclosed
US-20150050427-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA NV (BE) 2015-02-19 US disclosed
US-8133551-B2 Radiation curable inkjet printing methods AGFA GRAPHICS NV (BE) 2012-03-13 US disclosed
US-8133551-B2 Radiation curable inkjet printing methods AGFA GRAPHICS NV (BE) 2012-03-13 US disclosed
US-20110124768-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2011-05-26 US disclosed
US-20110124768-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2011-05-26 US disclosed
US-20100331478-A1 RADIATION CURABLE INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2010-12-30 US disclosed
US-20100331478-A1 RADIATION CURABLE INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2010-12-30 US disclosed
US-20100313782-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-16 US disclosed
US-20100313782-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-16 US disclosed
US-20100304149-A1 RADIATION CURABLE COMPOSITIONS FOR FOOD APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
US-20100304149-A1 RADIATION CURABLE COMPOSITIONS FOR FOOD APPLICATIONS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed