SCHEMBL9316301

SCHEMBL9316301

C1=CC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2OCc2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
TNKS2 Q9H2K2 1/20 0.37
BCHE P06276 3/20 0.36
SIGMAR1 Q99720 4/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL6215213 0.74 MAPT (0.67) HTR1AMAPTMAPK1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL3201567 0.69 SIGMAR1 (0.36) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL19612425 0.68 MAPT (0.55) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL1952637 0.66 HTR1A (0.51) HTR1ASLC6A2SLC6A3MAPTMAPK1
SCHEMBL18623128 0.66 HTR1A (0.68) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28501995 0.65 HTR2A (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL19612273 0.65 MAPT (0.58) HTR1ASLC6A2SLC6A3MAPTMAPK1
SCHEMBL23041327 0.64 MAPT (0.58) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL8938819 0.64 LMNA (0.43) SLC6A2SLC6A3MAPTL3MBTL1KDM1A
SCHEMBL1766179 0.63 MAPT (0.56) HTR1ASLC6A2SLC6A4SLC6A3MAPT

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-0625209-A1 METHOD FOR ASSAYING THE SOD ACTIVITY BY USING A SELF-OXIDIZABLE COMPOUND NECESSARY FOR ITS IMPLEMENTATION, SELF-OXIDIZABLE COMPOUNDS AND PREPARATION THEREOF. BIOXYTECH (FR) 1994-11-23 EP disclosed