SCHEMBL19904003

SCHEMBL19904003

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAOA P21397 1/20 0.32
HTR3A P46098 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 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
SCHEMBL19903969 0.85 TSHR (0.35) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL19980921 0.84 PHLPP2 (0.44) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL19981017 0.79 PHLPP2 (0.40) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL19980954 0.79 PHLPP2 (0.40) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL19903970 0.78 TSHR (0.49) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL19980948 0.77 PHLPP2 (0.39) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL18633382 0.76 PHLPP2 (0.38) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL19980943 0.75 PHLPP2 (0.37) PHLPP2CYP2D6TSHRMAOAHTR3A
SCHEMBL3192372 0.72 CA1 (0.43) TSHRNPSR1POLBAPEX1HTT
SCHEMBL1011794 0.71 POLB (0.41) CYP2D6TSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233944-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-09-04 EP disclosed
EP-2393849-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed
EP-2393851-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed