SCHEMBL19981012

SCHEMBL19981012

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.33
PTGER4 P35408 3/20 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
HDAC2 Q92769 2/20 0.32
BTK Q06187 2/20 0.32
PRKCI P41743 1/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 3/20 0.30
LRRK2 Q5S007 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19980985 0.90 HDAC1 (0.38) HDAC1PTGER4HDAC2BTKTSHR
SCHEMBL19980998 0.88 POLB (0.30) POLBAPEX1HTTTDP1
SCHEMBL19980987 0.86 MTNR1B (0.35) HDAC1PTGER4POLBHDAC2ALDH1A1
SCHEMBL19980976 0.85 HDAC1 (0.41) HDAC1POLBAPEX1HTTTDP1
SCHEMBL21117538 0.84 BTK (0.37) HDAC1PTGER4HDAC2BTKTHRB
SCHEMBL19980980 0.84 S100B (0.37) HDAC1PTGER4HDAC2BTKTSHR
SCHEMBL19980954 0.81 PHLPP2 (0.40) POLBAPEX1HTTTDP1BTK
SCHEMBL19980979 0.80 S100B (0.48) POLBAPEX1HTTTDP1THRB
SCHEMBL22212876 0.78 HDAC1 (0.46) HDAC1PTGER4HDAC2TSHR
SCHEMBL19980921 0.75 PHLPP2 (0.44) POLBAPEX1HTTTDP1THRB

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