SCHEMBL29974780

SCHEMBL29974780

OC[C@H]1O[C@H](O)[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
PDE4D Q08499 1/20 0.46
TACR2 P21452 1/20 0.46
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
LGALS8 O00214 1/20 0.42
SLC5A2 P31639 2/20 0.40
HRAS P01112 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
SCHEMBL8960125 0.95 SLC6A2 (0.52) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL8960350 0.95 SLC6A2 (0.52) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL8960128 0.95 SLC6A2 (0.52) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL8960525 0.95 SLC6A2 (0.52) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL8960215 0.95 SLC6A2 (0.52) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL8960222 0.95 SLC6A2 (0.52) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL5985708 0.91 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL2048168 0.91 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL7155718 0.91 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL22034477 0.91 SLC6A2 (0.60) SLC6A2PDE4DTSHRCYP2C19PDPK1

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-115381844-B Bacterial capsular oligosaccharide derivative, preparation method, pharmaceutical composition and application thereof 北京大学 2024-03-22 CN disclosed