SCHEMBL19980985

SCHEMBL19980985

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC3 O15379 3/20 0.38
BTK Q06187 1/20 0.33
TSHR P16473 1/20 0.32
ERAP2 Q6P179 2/20 0.32
LNPEP Q9UIQ6 1/20 0.32
PTGER4 P35408 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
SCHEMBL19980976 0.96 HDAC1 (0.41) HDAC1HDAC2HDAC3TSHR
SCHEMBL19981012 0.90 HDAC1 (0.33) HDAC1HDAC2BTKTSHRPTGER4
SCHEMBL22212876 0.90 HDAC1 (0.46) HDAC1HDAC2HDAC3TSHRPTGER4
SCHEMBL19980987 0.89 MTNR1B (0.35) HDAC1HDAC2HDAC3PTGER4
SCHEMBL19980897 0.81 HDAC1 (0.40) HDAC1HDAC2HDAC3BTKTSHR
SCHEMBL19980954 0.80 PHLPP2 (0.40) BTKTSHR
SCHEMBL19980979 0.79 S100B (0.48) TSHR
SCHEMBL19980998 0.79 POLB (0.30)
SCHEMBL19903994 0.77 TSHR (0.35) HDAC1HDAC2HDAC3TSHR
SCHEMBL24006345 0.77 HDAC1 (0.45) HDAC1HDAC2HDAC3LNPEP

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