SCHEMBL8777670

SCHEMBL8777670

CCOc1cc(N(CC)CC)ccc1C(OCc1ccccc1)c1ccc(N(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
BACE1 P56817 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
RXRA P19793 1/20 0.37
NOX1 Q9Y5S8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 4/20 0.35
AOC3 Q16853 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL8777563 0.94 NOX1 (0.40) BACE1RXRANOX1MAPTNPSR1
SCHEMBL8777642 0.91 TDP1 (0.41) MAPK1BACE1TDP1ALDH1A1MAPT
SCHEMBL8777736 0.90 APP (0.41) MAPK1TDP1NOX1ALDH1A1MAPT
SCHEMBL8777700 0.90 MEN1 (0.35) MAPK1TDP1ALDH1A1POLBCNR2
SCHEMBL8777597 0.90 BACE1 (0.42) BACE1RXRANOX1ALDH1A1MAPT
SCHEMBL8777625 0.89 CCR5 (0.38) TDP1MAPTPOLBNPSR1CNR2
SCHEMBL8777724 0.89 CALM1 (0.34) MAPK1TDP1RXRAALDH1A1MEN1
SCHEMBL8777741 0.89 SLC2A1 (0.42) MAPK1TDP1ALDH1A1HPGDPOLB
SCHEMBL8777634 0.87 CNR2 (0.41) BACE1RXRANOX1ALDH1A1POLB
SCHEMBL8777548 0.86 MAPK1 (0.39) MAPK1RXRANOX1ALDH1A1MAPT

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