SCHEMBL17445205

SCHEMBL17445205

CCCCO[C@@H]1OC(COC(=O)C(C)(C)C)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(OC(=O)C(C)(C)C)[C@@H]2OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)[C@@H]1OP

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ HPSE Q9Y251 8/20 0.35
▸ FGF1 P05230 7/20 0.35
▸ FGF2 P09038 6/20 0.35
▸ VEGFA P15692 3/20 0.35
▸ LGALS8 O00214 2/20 0.33
▸ LGALS3 P17931 2/20 0.33
▸ LGALS4 P56470 2/20 0.33
▸ SELL P14151 1/20 0.33
▸ SELP P16109 1/20 0.33
▸ GJB2 P29033 2/20 0.32

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
SCHEMBL15492489 0.95 MAPK1 (0.40) MAPK1HPSEFGF1FGF2VEGFA
SCHEMBL15445116 0.79 HPSE (0.36) MAPK1HPSEFGF1FGF2VEGFA
SCHEMBL15445115 0.78 MAPK1 (0.37) MAPK1HPSEFGF1FGF2VEGFA
SCHEMBL14685786 0.75 LGALS3 (0.47) LGALS8LGALS3LGALS4SELP
SCHEMBL12454166 0.75 LGALS3 (0.47) LGALS8LGALS3LGALS4SELP
SCHEMBL15473995 0.75 LGALS3 (0.47) LGALS8LGALS3LGALS4SELP
SCHEMBL17539071 0.74 CYP2D6 (0.44) MAPK1
SCHEMBL17817123 0.72 HPSE (0.38) MAPK1HPSEFGF1FGF2VEGFA
SCHEMBL17524341 0.72 CYP2D6 (0.44) MAPK1
SCHEMBL17524334 0.72 CYP2D6 (0.44) MAPK1

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-9237764-B2 Production of 6′-O-sialyllactose and intermediates GLYCOM A/S (DK) 2016-01-19 — — US disclosed
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