SCHEMBL8777779

SCHEMBL8777779

CCCCN(CCCC)c1ccc(C(OC)c2ccc(N(CC)CC)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.39
CNR2 P34972 6/20 0.37
MAPT P10636 5/20 0.35
HTT P42858 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRK6 P43250 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL8777739 0.90 GAA (0.36) CNR2MAPTHTTGAAPKM
SCHEMBL8777667 0.89 S100B (0.38) S100BCNR2MAPTHTTGAA
SCHEMBL8777587 0.88 S100B (0.38) S100BCNR2MAPTHTTGAA
SCHEMBL8777680 0.86 GAA (0.36) CNR2MAPTHTTGAAPKM
SCHEMBL8777600 0.86 S100B (0.40) S100BMAPTHTTGAAPKM
SCHEMBL8777547 0.85 SLC16A3 (0.36) CNR2MAPTALDH1A1LMNATSHR
SCHEMBL8777614 0.84 S100B (0.43) S100BMAPTHTTGAAPKM
SCHEMBL8777612 0.82 S100B (0.51) S100BMAPTHTTGAAPKM
SCHEMBL8777774 0.81 S100B (0.38) S100BCNR2MAPTHTTGAA
SCHEMBL8777681 0.81 GAA (0.37) S100BCNR2MAPTHTTGAA

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