SCHEMBL17685231

SCHEMBL17685231

CCC(C)(C)C1CCc2c(cc(-c3ccccc3)n2-c2ccc(OC(=O)O)o2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 18/20 0.41
TP53 P04637 12/20 0.41
THRB P10828 3/20 0.41
LMNA P02545 4/20 0.40
SLC2A1 P11166 1/20 0.33
NPY2R P49146 1/20 0.32
POLB P06746 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
SCHEMBL17685053 0.91 MAPT (0.42) MAPTTP53THRBLMNAPOLB
SCHEMBL17685187 0.87 MAPT (0.40) MAPTTP53THRBLMNA
SCHEMBL2981865 0.86 MAPT (0.42) MAPTTP53THRBLMNA
SCHEMBL17685211 0.84 MAPT (0.56) MAPTTP53THRBLMNA
SCHEMBL17685139 0.83 MAPT (0.44) MAPTTP53THRBLMNAPOLB
SCHEMBL17685132 0.80 MAPT (0.35) MAPTTP53THRBLMNA
SCHEMBL17685152 0.80 SLC6A4 (0.33) MAPTTP53THRBLMNA
SCHEMBL4153027 0.78 MAPT (0.50) MAPTTP53THRBLMNASLC2A1
SCHEMBL17685191 0.78 MAPT (0.46) MAPTTP53THRBLMNAPOLB
SCHEMBL13874914 0.78 MAPT (0.43) MAPTTP53THRBLMNAPOLB

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
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP claimed