SCHEMBL8777600

SCHEMBL8777600

CCCN(C)c1ccc(C(OC)c2ccc(N(CC)CC)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.40
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
IGLV6-57 P01721 2/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
TERT O14746 1/20 0.32
CRHR1 P34998 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
SCHEMBL8777614 0.88 S100B (0.43) S100BMAPTLMNAHTTIGLV6-57
SCHEMBL8777779 0.86 S100B (0.39) S100BMAPTLMNAHTTALDH1A1
SCHEMBL8777612 0.83 S100B (0.51) S100BMAPTLMNAHTTIGLV6-57
SCHEMBL8777593 0.82 S100B (0.38) S100BMAPTLMNAHTTIGLV6-57
SCHEMBL8777739 0.81 GAA (0.36) MAPTLMNAHTTALDH1A1MAPK1
SCHEMBL8777680 0.80 GAA (0.36) MAPTHTTMAPK1NPSR1GAA
SCHEMBL8777599 0.79 S100B (0.44) S100BMAPTLMNAHTTIGLV6-57
SCHEMBL8777543 0.78 ALDH1A1 (0.34) S100BMAPTLMNAALDH1A1NPSR1
SCHEMBL8777830 0.77 S100B (0.40) S100BMAPTLMNAHTTALDH1A1
SCHEMBL8777746 0.76 S100B (0.42) S100BMAPTLMNAHTTIGLV6-57

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