SCHEMBL169679

SCHEMBL169679

COc1ccc(C(OCC23COC(C(c4ccc(F)c(C)c4)O2)C3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.36
SLC5A1 P13866 2/20 0.36
SLC6A11 P48066 4/20 0.33
SLC6A1 P30531 3/20 0.33
KIF11 P52732 3/20 0.32
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A12 P48065 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL169678 1.00 SLC5A2 (0.36) SLC5A2SLC5A1SLC6A11SLC6A1KIF11
SCHEMBL6880054 1.00 SLC5A2 (0.36) SLC5A2SLC5A1SLC6A11SLC6A1KIF11
SCHEMBL132699 0.87 SLC6A11 (0.38) SLC6A11SLC6A1KIF11HTTLMNA
SCHEMBL135522 0.84 SLC6A11 (0.35) SLC5A2SLC5A1SLC6A11SLC6A1LMNA
SCHEMBL169481 0.78 EGFR (0.35) SLC5A2SLC5A1SLC6A11SLC6A1KDM4E
SCHEMBL169480 0.78 EGFR (0.35) SLC5A2SLC5A1SLC6A11SLC6A1KDM4E
SCHEMBL131200 0.78
SCHEMBL131201 0.78
SCHEMBL133759 0.75 SLC6A1 (0.33) SLC6A11SLC6A1HTTLMNAMAPT
SCHEMBL6277830 0.75 SLC6A1 (0.33) SLC6A11SLC6A1HTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446412-B1 NOVEL LNA COMPOSITIONS AND USES THEREOF EXIQON AS (DK) 2012-03-07 EP disclosed
EP-1556510-A2 OLIGONUCLEOTIDE ANALOGUES FOR DETECTING AND ANALYZING NUCLEIC ACIDS Exiqon A/S (DK) 2005-07-27 EP disclosed
WO-2004035819-A2 OLIGONUCLEOTIDE ANALOGUES FOR DETECTING AND ANALYZING NUCLEIC ACIDS EXIQON A/S (DK) 2004-04-29 WO disclosed