SCHEMBL13705694

SCHEMBL13705694

Oc1ccccc1-c1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
APP P05067 1/20 0.54
IDO1 P14902 1/20 0.54
PTGER1 P34995 6/20 0.54
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LIPE Q05469 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
HTR1A P08908 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
BRD4 O60885 1/20 0.49
ALPG P10696 1/20 0.49
PTK2B Q14289 1/20 0.49
DRD2 P14416 1/20 0.49

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
SCHEMBL26013299 0.88 MAPT (0.63) MCL1IDO1PTGER1MAPTMAPK1
SCHEMBL13460598 0.86 APP (0.53) MCL1APPIDO1PTGER1MAPT
SCHEMBL13460837 0.86 APP (0.53) MCL1APPPTGER1MAPTMAPK1
SCHEMBL13705698 0.86 MAOB (0.57) MCL1APPIDO1PTGER1RXRA
SCHEMBL17697642 0.84 MAPT (0.51) MCL1APPIDO1PTGER1MAPT
SCHEMBL130119 0.84 APP (0.72) MCL1APPMAPTMAPK1TDP1
SCHEMBL26107610 0.81 PTGER1 (0.51) MCL1APPIDO1PTGER1MAPT
SCHEMBL6356278 0.81 MAPT (0.60) MCL1APPMAPTMAPK1TDP1
SCHEMBL13460600 0.80 APP (0.46) MCL1APPMAPK1TDP1L3MBTL1
SCHEMBL13460485 0.80 ALDH1A1 (0.50) MCL1PTGER1MAPK1TDP1L3MBTL1

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-2009116665-A1 PROCESS FOR PRODUCTION OF 2-HYDROXYARYL ALDEHYDE COMPOUND 日産化学工業株式会社 (JP) 2009-09-24 WO disclosed