SCHEMBL28349587

SCHEMBL28349587

COc1ccc(C(OCCC(C)SSCCCOC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.40
SLC6A1 P30531 2/20 0.40
ATM Q13315 1/20 0.37
KIF11 P52732 4/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
GAA P10253 1/20 0.35
PDE4B Q07343 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
SCHEMBL28350096 0.89 SLC6A11 (0.41) SLC6A11SLC6A1ATMKIF11MEN1
SCHEMBL12582837 0.85 SLC6A11 (0.41) SLC6A11SLC6A1ATMKIF11ALDH1A1
SCHEMBL28353445 0.83 SLC6A11 (0.41) SLC6A11SLC6A1KIF11MEN1TP53
SCHEMBL335718 0.83 SLC6A11 (0.46) SLC6A11SLC6A1KIF11ALDH1A1LMNA
SCHEMBL28349546 0.81 SLC6A11 (0.41) SLC6A11SLC6A1KIF11MEN1TP53
SCHEMBL14866488 0.81 SLC6A11 (0.47) SLC6A11SLC6A1KIF11ALDH1A1LMNA
SCHEMBL5598775 0.80 SLC6A11 (0.48) SLC6A11SLC6A1KIF11ALDH1A1LMNA
SCHEMBL15318305 0.79 SLC6A11 (0.45) SLC6A11SLC6A1KIF11LMNATP53
SCHEMBL13575117 0.78 SLC6A11 (0.45) SLC6A11SLC6A1KIF11ALDH1A1LMNA
SCHEMBL8660951 0.78 SLC6A11 (0.45) SLC6A11SLC6A1KIF11ALDH1A1LMNA

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
CN-110603330-B Oligonucleotide derivative or salt thereof 协和麒麟株式会社 2023-09-05 CN disclosed
EP-3617314-B1 OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF KYOWA KIRIN CO LTD (JP) 2023-02-15 EP disclosed
CN-110603330-A Oligonucleotide derivative or salt thereof 协和麒麟株式会社 2019-12-20 CN disclosed