SCHEMBL19903974

SCHEMBL19903974

C=CC(=O)OCCN(CC)c1ccc(N)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.55
TSHR P16473 7/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 2/20 0.35
MAPT P10636 8/20 0.35
LMNA P02545 5/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GFER P55789 3/20 0.34
HIF1A Q16665 3/20 0.34
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL21117572 0.89 S100B (0.43) S100BTSHRHPGDTHRBALDH1A1
SCHEMBL19904030 0.83 TSHR (0.49) TSHRHPGDTHRBMAPTLMNA
SCHEMBL19904093 0.83 S100B (0.55) S100BTSHRTHRBMAPTLMNA
SCHEMBL19980955 0.83 HDAC1 (0.38) S100BTSHRHPGDMAPTLMNA
SCHEMBL25491871 0.82 TSHR (0.42) TSHRHPGDTHRBMAPTLMNA
SCHEMBL14141372 0.81 S100B (0.56) S100BTSHRMAPTLMNAHTT
SCHEMBL19903978 0.81 S100B (0.62) S100BTSHRHPGDMAPTLMNA
SCHEMBL20599113 0.80 GFER (0.45) TSHRHPGDTHRBMAPTLMNA
SCHEMBL19980935 0.79 THRB (0.36) S100BTSHRHPGDTHRBMAPT
SCHEMBL17868871 0.79 S100B (0.59) S100BTSHRHPGDMAPTLMNA

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