Fondaparinux

Fondaparinux

SCHEMBL19619397

CO[C@@H]1OC(COS(=O)(=O)O)[C@@H](O[C@@H]2OC(C(=O)O)[C@H](O[C@@H]3OC(COS(=O)(=O)O)[C@@H](O[C@@H]4OC(C(=O)O)[C@@H](O[C@@H]5OC(COS(=O)(=O)O)[C@@H](O)C(O)[C@@H]5NS(=O)(=O)O)C(O)[C@@H]4O)C(OS(=O)(=O)O)[C@@H]3NS(=O)(=O)O)C(O)[C@@H]2OS(=O)(=O)O)C(O)[C@@H]1NS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SERPINC1

The experimentally established mechanism targets of Fondaparinux. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINC1 known ✓ P01008 2/20 0.49
F10 P00742 4/20 1.00
F2 P00734 1/20 0.49
BDNF P23560 3/20 0.47
PTN P21246 2/20 0.47
MDK P21741 2/20 0.47
HPSE Q9Y251 9/20 0.46
PF4 P02776 2/20 0.45
FGF1 P05230 1/20 0.44
IFNG P01579 1/20 0.42
BMP2 P12643 1/20 0.42
CCL2 P13500 1/20 0.42
VEGFA P15692 1/20 0.42
SELP P16109 1/20 0.42
BMP6 P22004 1/20 0.42
CXCL12 P48061 1/20 0.42
CCL11 P51671 1/20 0.42
WNT3A P56704 1/20 0.42
SELPLG Q14242 1/20 0.42
SHH Q15465 1/20 0.42

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
Fondaparinux SCHEMBL15296579 1.00 F10 (1.00) F10SERPINC1F2BDNFPTN
Fondaparinux SCHEMBL14227800 1.00 F10 (1.00) F10SERPINC1F2BDNFPTN
Fondaparinux SCHEMBL1650579 1.00 F10 (1.00) F10SERPINC1F2BDNFPTN
Fondaparinux SCHEMBL17655218 1.00 F10 (1.00) F10SERPINC1F2BDNFPTN
SCHEMBL13795898 0.92 F10 (0.85) F10SERPINC1F2BDNFPTN
SCHEMBL10148985 0.92 F10 (0.85) F10SERPINC1F2BDNFPTN
SCHEMBL13130300 0.92 F10 (0.84) F10SERPINC1F2BDNFPTN
SCHEMBL15199336 0.90 F10 (0.81) F10SERPINC1F2BDNFPTN
SCHEMBL18883211 0.90 F10 (0.81) F10SERPINC1F2BDNFPTN
SCHEMBL10157440 0.90 F10 (0.81) F10SERPINC1F2BDNFPTN

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
US-9822140-B2 Methods and intermediates for the preparation of fondaparinux ACADEMIA SINICA (TW) 2017-11-21 US disclosed