SCHEMBL278601

SCHEMBL278601

C=CC(=O)OCCN(C)c1ccc(C(=O)OCCN(CC)CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP2D6 P10635 3/20 0.56
HRH3 Q9Y5N1 3/20 0.56
MAOA P21397 2/20 0.56
HTR3A P46098 1/20 0.56
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SCN1A P35498 4/20 0.54
SCN2A Q99250 4/20 0.54
SCN3A Q9NY46 4/20 0.54
LMNA P02545 2/20 0.54
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL12380041 0.88 ALDH1A1 (0.49) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL5579296 0.86 TSHR (0.43) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL18058924 0.85 PHLPP2 (0.44) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL278718 0.84 PHLPP2 (0.48) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL23084256 0.82 MAPT (0.53) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL12455687 0.81 CYP2D6 (0.56) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL11584964 0.80 TSHR (0.70) TSHRCYP2D6HRH3MAOAHTR3A
SCHEMBL18058919 0.80 THRB (0.41) TSHRHRH3MAOABLMSCN1A
SCHEMBL10386780 0.79 CYP2A6 (0.42) TSHRLMNACYP3A4KMT2ASMN1; SMN2
SCHEMBL6747415 0.79 TSHR (0.68) TSHRCYP2D6HRH3MAOAHTR3A

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 32 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-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-8940811-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2015-01-27 US disclosed
US-8940811-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2015-01-27 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