SCHEMBL8777774

SCHEMBL8777774

CCCCN(CCCC)c1ccc(C(COCC(c2ccc(N(CC)CC)cc2)c2ccc(N(CCCC)CCCC)cc2C)c2ccc(N(CC)CC)cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
CNR2 P34972 8/20 0.37
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
GRK6 P43250 1/20 0.32
CRHR1 P34998 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 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
SCHEMBL8777733 0.90 GAA (0.36) CNR2GAAMAPTPKMHTT
SCHEMBL8777674 0.87 GAA (0.35) CNR2GAAMAPTPKMHTT
SCHEMBL8777544 0.86 CNR2 (0.36) CNR2GAAALDH1A1KDM4EPOLB
SCHEMBL8777593 0.85 S100B (0.38) S100BGAAMAPTPKMHTT
SCHEMBL8777606 0.85 S100B (0.42) S100BGAAMAPTPKMHTT
SCHEMBL8777607 0.83 S100B (0.50) S100BGAAMAPTPKMHTT
SCHEMBL8777779 0.81 S100B (0.39) S100BCNR2GAAMAPTPKM
SCHEMBL8777667 0.81 S100B (0.38) S100BCNR2GAAMAPTPKM
SCHEMBL8777587 0.80 S100B (0.38) S100BCNR2GAAMAPTPKM
SCHEMBL8777730 0.76 TDP1 (0.42) GAAMAPTHTTKDM4EPOLB

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