SCHEMBL30476153

SCHEMBL30476153

O=C(O)CC1OC[C@@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A12 P48065 3/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 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
SCHEMBL21342069 1.00 TDP1 (0.34) TDP1THRBLMNASLC6A12SLC6A11
SCHEMBL29796427 1.00 TDP1 (0.34) TDP1THRBLMNASLC6A12SLC6A11
SCHEMBL29202212 1.00 TDP1 (0.34) TDP1THRBLMNASLC6A12SLC6A11
SCHEMBL30059488 0.83 TDP1 (0.33) TDP1THRBLMNA
SCHEMBL3294716 0.81 THRB (0.32) TDP1THRBLMNA
SCHEMBL10015241 0.81 THRB (0.32) TDP1THRBLMNA
SCHEMBL1900467 0.81 THRB (0.32) TDP1THRBLMNA
SCHEMBL1900465 0.81 THRB (0.32) TDP1THRBLMNA
SCHEMBL19085027 0.81 THRB (0.32) TDP1THRBLMNA
SCHEMBL16994826 0.81 THRB (0.32) TDP1THRBLMNA

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
CN-116348474-A Azoline saccharide compound, preparation method and application thereof 中国科学院上海药物研究所 2023-06-27 CN disclosed