SCHEMBL8551251

SCHEMBL8551251

O=C1CCN1Oc1ccccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
HTR1A P08908 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LIPE Q05469 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7478405 0.78 ALDH1A1 (0.51) HTTSLC6A2SLC6A3ALDH1A1L3MBTL1
SCHEMBL1934716 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1
SCHEMBL339812 0.74 MAPT (0.71) HTR1ASLC6A2SLC6A3LIPEL3MBTL1
SCHEMBL8473466 0.73 ALOX12 (0.41) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
Formaldehyde SCHEMBL27831678 0.72 MAPT (0.63) HTR1ALIPEL3MBTL1MAPTMAPK1
SCHEMBL7478408 0.70 KMT2A (0.55) SLC6A2SLC6A3ALDH1A1L3MBTL1MAPT
SCHEMBL23258867 0.69 MAPT (0.59) HTR1ALIPEL3MBTL1MAPTMAPK1
SCHEMBL27286576 0.69 MAPT (0.59) HTR1ASLC6A2SLC6A3LIPEL3MBTL1
SCHEMBL12379257 0.69 HTR1A (0.51) HTTHTR1AALDH1A1L3MBTL1MAPT
SCHEMBL5538708 0.68 MAPT (0.63) HTR1ASLC6A2SLC6A3LIPEL3MBTL1

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-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed