SCHEMBL19980988

SCHEMBL19980988

C=CC(=O)OCCNc1ccc(N)c(NC(=O)CCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.37
HDAC1 Q13547 7/20 0.37
HDAC3 O15379 6/20 0.37
HDAC2 Q92769 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTGER4 P35408 1/20 0.35
CDYL Q9Y232 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19981015 0.84 PTGER4 (0.48) TP53HDAC1HDAC3HDAC2NCOR2
SCHEMBL21117560 0.84 THRB (0.36) THRBTP53HDAC1HDAC2MAPT
SCHEMBL18633372 0.82 THRB (0.37) THRBHDAC1HDAC3HDAC2MAPT
SCHEMBL23463871 0.71 THRB (0.56) THRBTP53HPGDTSHRALDH1A1
SCHEMBL23409891 0.71 TSHR (0.44) THRBTP53MAPTKMT2AHPGD
SCHEMBL22648161 0.70 MAPT (0.48) THRBTP53MAPTKMT2AHPGD
SCHEMBL28250427 0.70 THRB (0.45) THRBTP53MAPTHPGDTSHR
SCHEMBL27214690 0.68 THRB (0.48) THRBTP53HDAC1HDAC3HDAC2
SCHEMBL19980955 0.67 HDAC1 (0.38) HDAC1HDAC3HDAC2MAPTHPGD
SCHEMBL988048 0.67 THRB (0.57) THRBTP53MAPTKMT2AHPGD

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