SCHEMBL9851807

SCHEMBL9851807

CCCCCCCCCCCCCCCC(=O)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 8)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 1/20 0.44
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK14 Q16539 2/20 0.42
P2RX3 P56373 1/20 0.39
HINT1 P49773 4/20 0.39
PRKACA P17612 1/20 0.39
NT5E P21589 3/20 0.38

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
SCHEMBL9851715 1.00 ATG7 (0.44) ATG7GSK3ARPS6KA3MAPK14P2RX3
SCHEMBL9851850 0.92 TK2 (0.42) ATG7GSK3ARPS6KA3MAPK14
SCHEMBL9851791 0.92 TK2 (0.42) ATG7GSK3ARPS6KA3MAPK14
SCHEMBL9851753 0.92 TK2 (0.46) ATG7GSK3ARPS6KA3MAPK14
SCHEMBL9851891 0.92 TK2 (0.46) ATG7GSK3ARPS6KA3MAPK14
SCHEMBL9851712 0.88 LMNA (0.45)
SCHEMBL9851734 0.88 LMNA (0.45)
SCHEMBL9851697 0.84 TK2 (0.49)
SCHEMBL9851779 0.84 LPAR1 (0.36) NT5E
SCHEMBL9851916 0.84 LPAR1 (0.36) NT5E

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