SCHEMBL2831599

SCHEMBL2831599

C=C(CCCOC(=O)C(=O)CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.34
TBXAS1 P24557 2/20 0.33
NAAA Q02083 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL759159 0.87 TSHR (0.42) TSHRTHRBTBXAS1NAAAPOLB
SCHEMBL6363350 0.83 TSHR (0.38) TSHRTHRBTBXAS1POLBAPEX1
SCHEMBL6547122 0.81 TSHR (0.56) TSHRTHRBTBXAS1POLBAPEX1
SCHEMBL8773672 0.81 TSHR (0.51) TSHRTHRBTDP1ALDH1A1
SCHEMBL6911790 0.79 TSHR (0.37) TSHRTHRBTBXAS1POLBAPEX1
SCHEMBL406198 0.77 ALDH1A1 (0.50) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL7051658 0.77 TSHR (0.56) TSHRTHRBNAAAALDH1A1HCAR2
SCHEMBL1648944 0.76 TBXAS1 (0.37) TSHRTBXAS1
SCHEMBL8846029 0.76 TSHR (0.59) TSHRTHRBTBXAS1POLBAPEX1
SCHEMBL5590452 0.76 TSHR (0.34) TSHRTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935956-B1 USE OF REPULPABLE PRESSURE-SENSITIVE ADHESIVES FOR BONDING OF PAPER COMPRISING CALCIUM(II) IONS TESA SE (DE) 2017-02-08 EP disclosed
EP-2166051-B1 REPULPABLE ADHESIVE TESA SE (DE) 2016-08-24 EP disclosed
EP-2166051-A1 Repulpable adhesive tesa SE (DE) 2010-03-24 EP disclosed
EP-1935956-A2 Repulpable adhesive Tesa AG (DE) 2008-06-25 EP disclosed