SCHEMBL9851791

SCHEMBL9851791

CCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ncc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1OC(=O)CCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.42
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
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
CA14 Q9ULX7 5/20 0.37
ATG7 O95352 1/20 0.36
GSK3A P49840 1/20 0.35
RPS6KA3 P51812 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL9851850 1.00 TK2 (0.42) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851891 0.93 TK2 (0.46) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851753 0.93 TK2 (0.46) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851734 0.93 LMNA (0.45) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851712 0.93 LMNA (0.45) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9851694 0.92 TK2 (0.49) TK2LMNASMN1; SMN2
SCHEMBL9851697 0.92 TK2 (0.49) TK2LMNASMN1; SMN2
SCHEMBL9851715 0.92 ATG7 (0.44) ATG7GSK3ARPS6KA3MAPK14
SCHEMBL9851807 0.92 ATG7 (0.44) ATG7GSK3ARPS6KA3MAPK14
SCHEMBL9851692 0.87 TK2 (0.56) TK2

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