SCHEMBL19980987

SCHEMBL19980987

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.35
MTNR1A P48039 1/20 0.35
MAPK1 P28482 1/20 0.34
HDAC3 O15379 7/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 2/20 0.34
LMNA P02545 1/20 0.34
NCOR1 O75376 1/20 0.34
HDAC1 Q13547 10/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGER4 P35408 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 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 0.89 HDAC1 (0.38) HDAC3HDAC2HDAC1PTGER4
SCHEMBL19981012 0.86 HDAC1 (0.33) HDAC2HDAC1ALDH1A1PTGER4POLB
SCHEMBL19980976 0.84 HDAC1 (0.41) HDAC3HDAC2HDAC1POLB
SCHEMBL18633372 0.82 THRB (0.37) MTNR1BMTNR1AMAPK1HDAC3HDAC2
SCHEMBL22212876 0.78 HDAC1 (0.46) MTNR1BMTNR1AHDAC3HDAC2HDAC1
SCHEMBL19980954 0.76 PHLPP2 (0.40) MAPK1LMNAALDH1A1POLBGAA
SCHEMBL19980979 0.75 S100B (0.48) LMNAALDH1A1POLB
SCHEMBL19980998 0.75 POLB (0.30) POLB
SCHEMBL19904093 0.72 S100B (0.55) MAPK1LMNAALDH1A1POLBGAA
SCHEMBL21117538 0.71 BTK (0.37) HDAC2HDAC1ALDH1A1PTGER4GAA

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