SCHEMBL19980976

SCHEMBL19980976

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC3 O15379 6/20 0.41
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL19980985 0.96 HDAC1 (0.38) HDAC1HDAC2HDAC3TSHR
SCHEMBL19981012 0.85 HDAC1 (0.33) HDAC1HDAC2TDP1POLBAPEX1
SCHEMBL19980897 0.85 HDAC1 (0.40) HDAC1HDAC2HDAC3CA1CA2
SCHEMBL19980987 0.84 MTNR1B (0.35) HDAC1HDAC2HDAC3POLB
SCHEMBL22212876 0.84 HDAC1 (0.46) HDAC1HDAC2HDAC3CA1CA2
SCHEMBL19980979 0.83 S100B (0.48) TDP1POLBAPEX1HTTCA1
SCHEMBL19980998 0.82 POLB (0.30) TDP1POLBAPEX1HTT
SCHEMBL19980955 0.80 HDAC1 (0.38) HDAC1HDAC2HDAC3TDP1POLB
SCHEMBL8943196 0.79 HDAC1 (0.49) HDAC1HDAC2HDAC3TDP1POLB
SCHEMBL19903994 0.78 TSHR (0.35) HDAC1HDAC2HDAC3TSHR

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