SCHEMBL20807100

SCHEMBL20807100

Bc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
C5AR1 P21730 1/20 0.47
POLB P06746 1/20 0.47
UBE2N P61088 1/20 0.47
SLC2A1 P11166 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTR1A P08908 2/20 0.46
DRD2 P14416 1/20 0.46
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
LIPE Q05469 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL19831010 0.90 SMPD1 (0.59) MAPK1KMT2ASMPD1HDAC1HDAC8
SCHEMBL28249294 0.90 NPC1 (0.57) MAPTKMT2ASMPD1HDAC1HDAC8
SCHEMBL10176688 0.85 FFAR4 (0.57) MAPTMAPK1TDP1L3MBTL1SMPD1
SCHEMBL12260990 0.84 NPC1 (0.56) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL30723279 0.84 S1PR5 (0.48) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8357376 0.84 S1PR5 (0.48) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL23599900 0.80 GLRA1 (0.46) MAPTMAPK1TDP1L3MBTL1SMPD1
SCHEMBL12952636 0.80 CCNB2 (0.56) MAPTMAPK1TDP1L3MBTL1KMT2A
SCHEMBL339812 0.79 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1HDAC6
SCHEMBL13412635 0.78 ALOX5 (0.63) MAPTL3MBTL1HDAC6LMNARAB9A

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-2842974-B1 COMPOUND HAVING FOUR POLYMERIZABLE GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-03-13 EP disclosed