SCHEMBL17521735

SCHEMBL17521735

CCC1(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(C(=O)O)CO[C@@H](C(O)OC4C(COS(=O)(=O)O)OC(OC)C(OS(=O)(=O)O)C4OC)C3OC)C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OC)C(OC)C1OC1OC(COS(=O)(=O)O)C(OCCOCCOCCOCCN)C(OC)C1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SERPINC1 P01008 2/20 0.40
▸ CXCL10 P02778 1/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ CCL2 P13500 1/20 0.33
▸ CCL5 P13501 1/20 0.33
▸ CXCL12 P48061 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ FGF1 P05230 1/20 0.31
▸ F10 P00742 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
SCHEMBL17902153 0.86 SERPINC1 (0.39) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL17521736 0.83 MDK (0.42) F2FGF1
SCHEMBL14227804 0.83 SERPINC1 (0.40) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL12799309 0.75 SERPINC1 (0.68) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL17521737 0.73 SERPINC1 (0.35) SERPINC1F10
SCHEMBL12458594 0.73 SERPINC1 (0.59) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL13873870 0.72 SERPINC1 (0.57) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL14959633 0.72 SERPINC1 (0.57) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL14227801 0.70 SERPINC1 (0.37) SERPINC1FGF1F10
SCHEMBL15896273 0.70 SERPINC1 (0.69) SERPINC1CXCL10CXCL8CCL2CCL5

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-9259389-B2 Pharmaceutical oral dosage form containing a synthetic oligosaccharide ENDOTIS PHARMA (FR) 2016-02-16 — — US disclosed
Send feedback