SCHEMBL17040223

SCHEMBL17040223

c1ccc(COC[C@@H]2OC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.55
ACHE P22303 2/20 0.55
SLC6A2 P23975 2/20 0.49
PDE4D Q08499 1/20 0.44
HTR1A P08908 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
GJB2 P29033 2/20 0.40
NT5E P21589 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39

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
SCHEMBL18640660 1.00 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL18852547 1.00 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL18896702 1.00 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL22316285 1.00 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL29937530 1.00 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL19380966 1.00 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL20140085 0.97 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL18485164 0.97 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL19891743 0.97 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A
SCHEMBL18822660 0.97 BCHE (0.55) BCHEACHESLC6A2PDE4DHTR1A

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-2015125782-A1 METHOD FOR PRODUCING THIOLANE-SKELETON GLYCOCONJUGATE, AND THIOLANE-SKELETON GLYCOCONJUGATE 富士フイルム株式会社 2015-08-27 WO disclosed