SCHEMBL9851844

SCHEMBL9851844

CCCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)CCC)[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.35
AHCY P23526 2/20 0.34
GAA P10253 1/20 0.34
ADORA1 P30542 2/20 0.33
EHMT1 Q9H9B1 1/20 0.33

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
SCHEMBL9851699 0.92 GAA (0.38) AHCYGAAADORA1
SCHEMBL9851740 0.89 BCHE (0.41) ADORA3AHCYADORA1EHMT1
SCHEMBL9851908 0.88 ADORA1 (0.35) ADORA3GAAADORA1
SCHEMBL9851729 0.85 AHCY (0.35) AHCY
SCHEMBL9851727 0.81 ADORA3 (0.37) ADORA3AHCYGAAADORA1
SCHEMBL9851766 0.81 SLC29A1 (0.39) ADORA3GAAADORA1
SCHEMBL9851773 0.81 SLC29A1 (0.39) ADORA3GAAADORA1
SCHEMBL9851784 0.78 BCHE (0.43) ADORA3ADORA1
SCHEMBL9851774 0.78 BCHE (0.43) ADORA3ADORA1
SCHEMBL9487327 0.77 BCHE (0.51) ADORA3AHCYGAAADORA1EHMT1

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-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed