SCHEMBL19980943

SCHEMBL19980943

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 5/20 0.36
MAOA P21397 3/20 0.36
CYP2D6 P10635 2/20 0.36
HTR3A P46098 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 4/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CHRM2 P08172 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 1/20 0.34
DRD3 P35462 1/20 0.34

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 0.90 PHLPP2 (0.44) PHLPP2TDP1POLBAPEX1HTT
SCHEMBL19980947 0.85 ALDH1A1 (0.44) TDP1TSHRCYP3A4ALDH1A1PSMD14
SCHEMBL19980954 0.85 PHLPP2 (0.40) PHLPP2TDP1POLBAPEX1HTT
SCHEMBL19981017 0.85 PHLPP2 (0.40) PHLPP2TDP1POLBAPEX1HTT
SCHEMBL19903970 0.83 TSHR (0.49) PHLPP2TDP1POLBAPEX1HTT
SCHEMBL19980948 0.82 PHLPP2 (0.39) PHLPP2TDP1POLBAPEX1HTT
SCHEMBL18633382 0.81 PHLPP2 (0.38) PHLPP2TDP1POLBAPEX1HTT
SCHEMBL3192372 0.77 CA1 (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL31582668 0.76 POLB (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL11980056 0.75 PHLPP2 (0.49) PHLPP2TDP1TSHRMAOACYP2D6

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