SCHEMBL31089082

SCHEMBL31089082

Cc1cccc(OCc2ccccc2)c1B(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTR1A P08908 3/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
ENPP2 Q13822 1/20 0.49
PTGER1 P34995 2/20 0.46
SGMS2 Q8NHU3 2/20 0.45
EDNRA P25101 1/20 0.45
BRD4 O60885 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
DRD2 P14416 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
SCHEMBL15475933 0.84 LIPE (0.63) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL30971046 0.83 MAPT (0.57) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL31089077 0.81 LIPE (0.55) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL29634807 0.81 LIPE (0.58) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL18190569 0.81 LIPE (0.58) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL28798230 0.81 LIPE (0.58) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL29952722 0.80 LIPE (0.54) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL19612388 0.80 L3MBTL1 (0.67) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL27403574 0.79 LIPE (0.75) LIPEL3MBTL1MAPTMAPK1TDP1
SCHEMBL265584 0.79 MAPK1 (0.70) LIPEL3MBTL1MAPTMAPK1TDP1

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
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 WO disclosed