SCHEMBL14646038

SCHEMBL14646038

CCCCC(CC)COc1ccc(N(c2ccc(OCC(CC)CCCC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(C=O)s5)ccc3-4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
PRF1 P14222 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
PGR P06401 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNA7 P36544 1/20 0.31
MMP2 P08253 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14645642 0.86 TDP1 (0.37) APPALDH1A1MAPTKMT2AMEN1
SCHEMBL14645366 0.85 MAPT (0.48) APPALDH1A1MAPTLMNACYP3A4
SCHEMBL14645370 0.85 MAPT (0.48) APPALDH1A1MAPTLMNACYP3A4
SCHEMBL14645393 0.82 MAPT (0.39) APPALDH1A1MAPTKMT2AMEN1
SCHEMBL15786690 0.78 CYP3A4 (0.41) APPALDH1A1MAPTNPC1RAB9A
SCHEMBL14646301 0.77 APP (0.51) APPPRF1MAPTPGRCYP3A4
SCHEMBL14645355 0.76 MAPT (0.42) APPMAPT
SCHEMBL14645357 0.76 MAPT (0.42) APPMAPT
SCHEMBL14645342 0.75 SLC16A3 (0.37)
SCHEMBL14645343 0.75 SLC16A3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 WO disclosed