SCHEMBL19980979

SCHEMBL19980979

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1ccc(N)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.48
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
THRB P10828 2/20 0.36
TSHR P16473 6/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP2D6 P10635 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CYP1A2 P05177 2/20 0.32
SCN1A P35498 2/20 0.32
KCNH2 Q12809 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HIF1A Q16665 1/20 0.32
PHLPP2 Q6ZVD8 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
SCHEMBL19904093 0.94 S100B (0.55) S100BTDP1HTTPOLBAPEX1
SCHEMBL19980976 0.83 HDAC1 (0.41) TDP1HTTPOLBAPEX1THRB
SCHEMBL19980921 0.82 PHLPP2 (0.44) TDP1HTTPOLBAPEX1THRB
SCHEMBL3192372 0.80 CA1 (0.43) TDP1HTTPOLBAPEX1THRB
SCHEMBL21117572 0.80 S100B (0.43) S100BTHRBTSHRHIF1AALDH1A1
SCHEMBL19981012 0.80 HDAC1 (0.33) TDP1HTTPOLBAPEX1THRB
SCHEMBL19980985 0.79 HDAC1 (0.38) TSHR
SCHEMBL19980755 0.78 S100B (0.47) S100BHTTTSHRCYP2D6HRH3
SCHEMBL3192908 0.77 THRB (0.41) TDP1HTTPOLBAPEX1THRB
SCHEMBL19981017 0.77 PHLPP2 (0.40) TDP1HTTPOLBAPEX1THRB

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
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed