SCHEMBL10312244

SCHEMBL10312244

C=C(C)C(=O)OCCNC(=O)NCCOC(=O)C(=C)CC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 5/20 0.32
EPHX2 P34913 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
ACHE P22303 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
SCHEMBL2195083 0.89 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3250861 0.86 TSHR (0.53) THRBTSHRALDH1A1EPHX1MEN1
SCHEMBL4087586 0.86 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23717186 0.85 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14582190 0.84 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10093567 0.84 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13590585 0.84 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1756519 0.84 THRB (0.64) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12168928 0.83 TSHR (0.59) THRBTSHREPHX1ACHE
SCHEMBL12511119 0.83 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120177950-A1 BINDER RESIN COMPOSITION FOR MAGNETIC RECORDING MEDIUM, METHOD OF MANUFACTURING THE SAME, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2012-07-12 US disclosed