SCHEMBL19981010

SCHEMBL19981010

C=CC(=O)OCCN(CCOC=O)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.37
TSHR P16473 7/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 2/20 0.35
MAOA P21397 1/20 0.35
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.33
ESRRG P62508 1/20 0.33
PSMD14 O00487 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL14679866 0.92 THRB (0.43) THRBPHLPP2TSHRALDH1A1CYP3A4
SCHEMBL19980951 0.84 MAPT (0.38) THRBPHLPP2TSHRALDH1A1CYP3A4
SCHEMBL19904030 0.84 TSHR (0.49) THRBPHLPP2TSHRALDH1A1CYP3A4
SCHEMBL18633382 0.82 PHLPP2 (0.38) THRBPHLPP2TSHRALDH1A1CYP3A4
SCHEMBL10608569 0.79 THRB (0.44) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL21322323 0.78 PHLPP2 (0.47) THRBPHLPP2TSHRALDH1A1CYP3A4
SCHEMBL13206328 0.78 ESRRG (0.42) THRBPHLPP2TSHRALDH1A1CYP3A4
SCHEMBL19980872 0.77 ALDH1A1 (0.42) PHLPP2TSHRALDH1A1CYP3A4TP53
SCHEMBL14341772 0.77 THRB (0.43) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL9174872 0.77 THRB (0.57) THRBTSHRALDH1A1CYP3A4TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008096-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed