SCHEMBL8777612

SCHEMBL8777612

CCN(CC)c1ccc(C(OC)c2ccc(N(CC)CC)cc2C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.51
MAPT P10636 7/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
TERT O14746 1/20 0.41
MAPK1 P28482 5/20 0.40
GFER P55789 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
IGLV6-57 P01721 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL8777686 0.88 S100B (0.53) S100BMAPTHTTLMNAALDH1A1
SCHEMBL8777614 0.87 S100B (0.43) S100BMAPTHTTLMNAALDH1A1
SCHEMBL8777600 0.83 S100B (0.40) S100BMAPTHTTLMNAALDH1A1
SCHEMBL8777779 0.82 S100B (0.39) S100BMAPTHTTLMNAALDH1A1
SCHEMBL81551 0.82 S100B (0.58) S100BMAPTHTTLMNAALDH1A1
SCHEMBL6271329 0.82 S100B (0.58) S100BMAPTHTTLMNAALDH1A1
Methoxymethane SCHEMBL11125655 0.81 S100B (0.50) S100BMAPTHTTLMNAALDH1A1
SCHEMBL8074081 0.80 S100B (0.56) S100BMAPTHTTLMNAALDH1A1
SCHEMBL12781700 0.80 S100B (0.56) S100BMAPTHTTLMNAALDH1A1
Hydrochloric Acid SCHEMBL237984 0.80 S100B (0.56) S100BMAPTHTTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59221358-A None JP disclosed
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
JP-S59221358-A BENZHYDROL ALKYL ETHER COMPOUND HODOGAYA CHEM CO LTD 1984-12-12 JP disclosed