SCHEMBL23614817

SCHEMBL23614817

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3CCC4C[C@@H](OCc5cn(CCOCCO[C@H]6OC(CO)[C@@H](O)C(O)C6O)nn5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 10/20 0.61
FGF1 P05230 7/20 0.61
FGF2 P09038 7/20 0.61
NR1H4 Q96RI1 1/20 0.52
LGALS3 P17931 1/20 0.48
ST3GAL1 Q11201 1/20 0.48
POLA1 P09884 1/20 0.47
CDC25A P30304 1/20 0.47

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
SCHEMBL3691749 0.89 HPSE (0.68) HPSEFGF1FGF2NR1H4ST3GAL1
SCHEMBL23601690 0.87 POLB (0.56) HPSEFGF1FGF2LGALS3POLA1
SCHEMBL23601842 0.87 POLB (0.56) HPSEFGF1FGF2LGALS3POLA1
SCHEMBL21340577 0.83 HPSE (0.65) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL23223301 0.81 HPSE (0.63) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL23223299 0.81 HPSE (0.63) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL24017722 0.81 CDC25A (0.60) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL24017768 0.80 HPSE (0.61) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL21340483 0.80 HPSE (0.61) HPSEFGF1FGF2ST3GAL1POLA1
SCHEMBL20004930 0.79 CDC25A (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845249-A1 TARGETED NANOPREPARATION OF MANNOSE, AND PREPARATION THEREFOR AND APPLICATION THEREOF Chengdu Ribocure Pharmatech Company Limited (CN) 2021-07-07 EP disclosed