SCHEMBL19981017

SCHEMBL19981017

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.40
TSHR P16473 6/20 0.39
MAOA P21397 3/20 0.39
CYP2D6 P10635 3/20 0.39
HTR3A P46098 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PSMD14 O00487 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36

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 0.94 PHLPP2 (0.44) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL19980954 0.89 PHLPP2 (0.40) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL19903970 0.88 TSHR (0.49) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL19980948 0.87 PHLPP2 (0.39) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL18633382 0.86 PHLPP2 (0.38) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL19980943 0.85 PHLPP2 (0.37) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL3192372 0.81 CA1 (0.43) TSHRNPSR1TDP1ALDH1A1MAPK1
SCHEMBL31582668 0.80 POLB (0.44) TSHRCYP2D6CYP3A4TDP1ALDH1A1
SCHEMBL11980056 0.79 PHLPP2 (0.49) PHLPP2TSHRMAOACYP2D6HTR3A
SCHEMBL19904003 0.79 PHLPP2 (0.33) PHLPP2TSHRMAOACYP2D6HTR3A

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