SCHEMBL9851775

SCHEMBL9851775

CCCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ncc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 1/20 0.44
NT5E P21589 12/20 0.40
TYMP P19971 3/20 0.40
P2RX3 P56373 1/20 0.40
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL9851873 0.90 ATG7 (0.48) ATG7NT5ETYMPP2RX3GSK3A
SCHEMBL9851876 0.84 NT5E (0.40) ATG7NT5ETYMPP2RX3
SCHEMBL9851765 0.84 ATG7 (0.36) ATG7NT5ETYMPP2RX3
SCHEMBL9851816 0.82 MEN1 (0.37) ATG7TYMP
SCHEMBL9851748 0.81 ATG7 (0.39) ATG7NT5ETYMPP2RX3GSK3A
SCHEMBL9851743 0.81 ATG7 (0.52) ATG7NT5ETYMPP2RX3GSK3A
SCHEMBL9851799 0.80 ALDH1A1 (0.34) NT5E
SCHEMBL18520579 0.80 ATG7 (0.51) ATG7NT5ETYMPP2RX3GSK3A
SCHEMBL1144829 0.78 ALDH1A1 (0.55) ATG7
SCHEMBL6912032 0.78 ALDH1A1 (0.55) ATG7

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