SCHEMBL16660641

SCHEMBL16660641

COc1ccc(C2(c3ccc(OC)cc3)c3cc(OC(C)=O)ccc3-c3cccc(C#Cc4ccc(OC(C)=O)cc4)c32)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.71
MAPT P10636 1/20 0.38
BACE1 P56817 2/20 0.36
PDK2 Q15119 1/20 0.35
ACACB O00763 1/20 0.34
SLC16A3 O15427 1/20 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
SCHEMBL16660570 0.96 PDE4D (0.64) PDE4DMAPTPDK2
SCHEMBL16660640 0.83 PDE4D (1.00) PDE4D
SCHEMBL16660604 0.74 PDE4D (0.61) PDE4D
SCHEMBL13583090 0.73 MAPT (0.57) MAPTBACE1PDK2
SCHEMBL16660639 0.73 PDE4D (0.82) PDE4DPDK2
SCHEMBL16660683 0.72 PDE4D (0.84) PDE4D
SCHEMBL16660642 0.70 PDE4D (0.83) PDE4D
SCHEMBL1355713 0.69 MAPT (0.51) MAPTBACE1PDK2
SCHEMBL11940933 0.68 MAPT (0.62) MAPTBACE1PDK2
SCHEMBL20212095 0.68 FFAR1 (0.51) MAPTACACB

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-2015055116-A1 SELAGINELLA PULVINATA EXTRACTIVE AND PREPARATION METHOD AND APPLICATION THEREOF 中山大学 2015-04-23 WO disclosed