SCHEMBL9851891

SCHEMBL9851891

CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ncc3c(=O)[nH]cnc32)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.46
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
GSK3A P49840 2/20 0.36
RPS6KA3 P51812 2/20 0.36
MAPK14 Q16539 2/20 0.36
ATG7 O95352 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36

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
SCHEMBL9851753 1.00 TK2 (0.46) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851850 0.93 TK2 (0.42) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851791 0.93 TK2 (0.42) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851734 0.93 LMNA (0.45) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851712 0.93 LMNA (0.45) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851708 0.92 TK2 (0.56) TK2
SCHEMBL9851814 0.92 TK2 (0.56) TK2
SCHEMBL9851692 0.92 TK2 (0.56) TK2
SCHEMBL9851807 0.92 ATG7 (0.44) GSK3ARPS6KA3MAPK14ATG7
SCHEMBL9851715 0.92 ATG7 (0.44) GSK3ARPS6KA3MAPK14ATG7

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