SCHEMBL8777571

SCHEMBL8777571

CCN(CC)c1ccc(C(OC(c2ccc(N(C)C)cc2)c2ccc(N(CC)CC)c(C)c2)c2ccc(N(C)C)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
GAA P10253 4/20 0.35
SLC2A1 P11166 1/20 0.34
S100B P04271 1/20 0.34
ALDH1A1 P00352 6/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PGR P06401 1/20 0.34
TSHR P16473 4/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8777599 0.77 S100B (0.44) CRHR1GAASLC2A1S100BALDH1A1
SCHEMBL10349250 0.76 ALDH1A1 (0.55) GAASLC2A1ALDH1A1TDP1MEN1
SCHEMBL5013162 0.74 GRK6 (0.47) GAAS100BALDH1A1TDP1MEN1
SCHEMBL10818964 0.74 ALDH1A1 (0.50) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL10478219 0.72 SLC2A1 (0.38) CRHR1GAASLC2A1S100BALDH1A1
SCHEMBL14431219 0.72 GRK6 (0.44) CRHR1SLC2A1S100BALDH1A1TDP1
SCHEMBL14690792 0.72 ALDH1A1 (0.42) GAASLC2A1ALDH1A1TDP1MEN1
SCHEMBL8777614 0.70 S100B (0.43) CRHR1GAASLC2A1S100BALDH1A1
SCHEMBL8777555 0.70 MAPK1 (0.42) ALDH1A1MAPTHTTNPSR1TSHR
SCHEMBL8777629 0.69 ALDH1A1 (0.37) GAASLC2A1S100BALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5478793-A Basic dye-containing layer and color accetpor-containing layer formed on same or different surfaces; basic dye enclosed in synthetic polymer microcapsules, color acceptor is activated clay containing silica KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-12-26 US disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed