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SCHEMBL3691749

SCHEMBL3691749

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OCc5cn(CCCO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H]6O)nn5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 12/20 0.68
▸ FGF1 P05230 7/20 0.68
▸ FGF2 P09038 7/20 0.68
▸ NR1H4 Q96RI1 1/20 0.52
▸ ST3GAL1 Q11201 1/20 0.47
▸ POLA1 P09884 1/20 0.44
▸ CDC25A P30304 1/20 0.44

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
SCHEMBL23614817 0.89 HPSE (0.61) HPSEFGF1FGF2NR1H4ST3GAL1
SCHEMBL21340577 0.82 HPSE (0.65) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL23223301 0.80 HPSE (0.63) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL23223299 0.80 HPSE (0.63) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL26642434 0.79 NR1H4 (0.79) HPSEFGF1FGF2NR1H4POLA1
SCHEMBL30653065 0.79 NR1H4 (0.79) HPSEFGF1FGF2NR1H4POLA1
SCHEMBL26642428 0.79 NR1H4 (0.79) HPSEFGF1FGF2NR1H4POLA1
SCHEMBL11410558 0.79 NR1H4 (0.79) HPSEFGF1FGF2NR1H4POLA1
SCHEMBL3391119 0.79 NR1H4 (0.79) HPSEFGF1FGF2NR1H4POLA1
SCHEMBL24017768 0.78 HPSE (0.61) HPSEFGF1FGF2ST3GAL1POLA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205616-A1 NOVEL SULFATED OLIGOSACCHARIDE DERIVATIVES Progen Pharmaceuticals Limited (AU) 2010-07-14 — — EP disclosed
WO-2009049370-A1 NOVEL SULFATED OLIGOSACCHARIDE DERIVATIVES PROGEN PHARMACEUTICALS LIMITED (AU) 2009-04-23 — — WO disclosed