SCHEMBL19903970

SCHEMBL19903970

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
CYP3A4 P08684 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
PSMD14 O00487 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOA P21397 3/20 0.46
CYP2D6 P10635 3/20 0.46
HTR3A P46098 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
BLM P54132 1/20 0.45
ESRRG P62508 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
THRB P10828 1/20 0.41
CHRM2 P08172 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL19980921 0.93 PHLPP2 (0.44) TSHRCYP3A4ALDH1A1TDP1PSMD14
SCHEMBL19981017 0.88 PHLPP2 (0.40) TSHRCYP3A4ALDH1A1TDP1PSMD14
SCHEMBL19980954 0.88 PHLPP2 (0.40) TSHRCYP3A4ALDH1A1TDP1PSMD14
SCHEMBL26418254 0.87 TSHR (0.42) TSHRALDH1A1TDP1MAPK1NPSR1
SCHEMBL16544008 0.86 POLB (0.43) TSHRALDH1A1TDP1MAOACYP2D6
SCHEMBL22082132 0.86 THRB (0.41) TSHRALDH1A1TDP1MAPK1GFER
SCHEMBL554904 0.86 THRB (0.42) TSHRCYP3A4ALDH1A1TDP1CYP2D6
SCHEMBL14948666 0.85 ALDH1A1 (0.55) TSHRCYP3A4ALDH1A1TDP1PSMD14
SCHEMBL19980948 0.85 PHLPP2 (0.39) TSHRCYP3A4ALDH1A1TDP1PSMD14
SCHEMBL18633382 0.84 PHLPP2 (0.38) TSHRCYP3A4ALDH1A1TDP1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023276668-A1 COMPOUND, COMPOSITION, FILM, LAMINATE, AND DISPLAY DEVICE 住友化学株式会社 2023-01-05 WO disclosed
EP-3233944-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-09-04 EP disclosed
EP-2577392-B1 COLOURED POLYMER PARTICLES MERCK PATENT GMBH (DE) 2019-06-26 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