SCHEMBL278694

SCHEMBL278694

C=COCCCCOCC(COC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.36
PLA2G2C Q5R387 2/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRA1D P25100 1/20 0.31
PTAFR P25105 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1B P35368 1/20 0.31
DRD3 P35462 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL278845 0.89 TSHR (0.42) TSHRTHRBPLA2G2CPOLBAPEX1
SCHEMBL28532325 0.86 TSHR (0.58) TSHRTHRBPLA2G2CPOLBAPEX1
SCHEMBL13572182 0.86 TSHR (0.58) TSHRTHRBPLA2G2CADRA1DPTAFR
SCHEMBL13762158 0.86 LPAR1 (0.39) TSHRTHRBPLA2G2CPOLBAPEX1
SCHEMBL13641684 0.84 TSHR (0.51) TSHRTHRBPLA2G2CADRA1DPTAFR
SCHEMBL279007 0.83 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13018382 0.82 TLR2 (0.34) TSHRTHRBPLA2G2C
SCHEMBL278819 0.81 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL26231781 0.81 TSHR (0.51) TSHRTHRBPLA2G2CPOLBAPEX1
SCHEMBL1835880 0.80 THRB (0.54) TSHRTHRBPOLBAPEX1HTT

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
EP-2053100-B1 Radiation curable inkjet printing methods AGFA GRAPHICS NV (BE) 2015-06-17 EP disclosed
US-8372913-B2 Radiation curable inkjet printing methods AGFA GRAPHICS NV (BG) 2013-02-12 US disclosed
US-8372913-B2 Radiation curable inkjet printing methods AGFA GRAPHICS NV (BG) 2013-02-12 US disclosed
US-20120108746-A1 RADIATION CURABLE INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2012-05-03 US disclosed
US-20120108746-A1 RADIATION CURABLE INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2012-05-03 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-RE40847-E1 Ink compositions for ink jet printing AGFA-GEVAERT (BE) 2009-07-14 US disclosed
US-RE40847-E1 Ink compositions for ink jet printing AGFA-GEVAERT (BE) 2009-07-14 US disclosed
EP-2053100-A1 Radiation curable inkjet printing methods Agfa Graphics N.V. (BE) 2009-04-29 EP disclosed