SCHEMBL29929630

SCHEMBL29929630

N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](CO)O[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
PDE4D Q08499 1/20 0.43
TACR2 P21452 1/20 0.43
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
GJB2 P29033 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
LGALS8 O00214 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
SCHEMBL29929945 0.90 SLC6A2 (0.53) SLC6A2PDE4DTSHRCYP2C19PDPK1
SCHEMBL31134238 0.90 SLC6A2 (0.53) SLC6A2PDE4DTSHRCYP2C19PDPK1
SCHEMBL2783738 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL29974780 0.87 SLC6A2 (0.51) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL1118779 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL7155718 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL5985708 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL2048168 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL8156936 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19
SCHEMBL26048713 0.87 SLC6A2 (0.48) SLC6A2PDE4DTACR2TSHRCYP2C19

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-115057896-A Synthetic method of fondaparinux sodium 苏州柯默拓医药科技有限公司 2022-09-16 CN disclosed