SCHEMBL28353232

SCHEMBL28353232

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.44
SLC6A1 P30531 2/20 0.44
KIF11 P52732 5/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5604595 0.79 SLC6A11 (0.49) SLC6A11SLC6A1KIF11KMT2AMEN1
SCHEMBL28350118 0.79 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KMT2AMEN1
SCHEMBL5604514 0.79 SLC6A11 (0.49) SLC6A11SLC6A1KIF11KMT2AMEN1
SCHEMBL5967855 0.79 SLC6A11 (0.49) SLC6A11SLC6A1KIF11KMT2AMEN1
SCHEMBL14856058 0.78 KIF11 (0.41) KIF11KMT2AALDH1A1
SCHEMBL14856176 0.78 KIF11 (0.41) KIF11KMT2AALDH1A1
SCHEMBL17443045 0.78 KIF11 (0.41) KIF11KMT2AALDH1A1
SCHEMBL27031952 0.77 SLC6A1 (0.41) SLC6A11SLC6A1KIF11KMT2AMEN1
SCHEMBL27130663 0.77 SLC6A1 (0.41) SLC6A11SLC6A1KIF11KMT2AMEN1
SCHEMBL9306492 0.76 SLC6A11 (0.45) SLC6A11SLC6A1KIF11KMT2AMEN1

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