SCHEMBL14645370

SCHEMBL14645370

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
APP P05067 2/20 0.41
PTGES O14684 2/20 0.35
SLC16A3 O15427 3/20 0.34
SLC16A1 P53985 3/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL14645366 1.00 MAPT (0.48) MAPTAPPPTGESSLC16A3SLC16A1
SCHEMBL14645357 0.90 MAPT (0.42) MAPTAPPPTGESSLC16A3SLC16A1
SCHEMBL14645355 0.90 MAPT (0.42) MAPTAPPPTGESSLC16A3SLC16A1
SCHEMBL14645343 0.89 SLC16A3 (0.37) PTGESSLC16A3SLC16A1
SCHEMBL14645342 0.89 SLC16A3 (0.37) PTGESSLC16A3SLC16A1
SCHEMBL14645954 0.88 MAPT (0.49) MAPTAPPPTGESSLC16A3SLC16A1
SCHEMBL14646038 0.85 APP (0.39) MAPTAPPALDH1A1LMNACYP3A4
SCHEMBL14645903 0.84 MAPT (0.42) MAPTAPPPTGESSLC16A3SLC16A1
SCHEMBL14646320 0.84 MAPT (0.58) MAPTAPPSLC16A3SLC16A1ALDH1A1
SCHEMBL14645505 0.81 MAPT (0.61) MAPTAPPSLC16A3SLC16A1ALDH1A1

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