SCHEMBL8081014

SCHEMBL8081014

Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)OOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HIF1A Q16665 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLC28A3 Q9HAS3 2/20 0.46
SLC5A1 P13866 3/20 0.42
SLC5A2 P31639 1/20 0.41
SYNJ2 O15056 2/20 0.39
MAPT P10636 2/20 0.39
ABL1 P00519 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
PABPC1 P11940 1/20 0.39
RECQL P46063 1/20 0.39
GALK1 P51570 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL2465791 1.00 KDM4E (0.53) KDM4EHIF1ATDP1SLC28A3SLC5A1
SCHEMBL30852266 0.78 SLC28A3 (0.51) KDM4EHIF1ATDP1SLC28A3SLC5A1
SCHEMBL2179543 0.78 SLC28A3 (0.51) KDM4EHIF1ATDP1SLC28A3SLC5A1
SCHEMBL30852439 0.78 SLC28A3 (0.51) KDM4EHIF1ATDP1SLC28A3SLC5A1
SCHEMBL2423068 0.75 SLC5A1 (0.41) KDM4ESLC28A3SLC5A1SLC5A2SYNJ2
SCHEMBL29934345 0.71 KDM4E (1.00) KDM4EHIF1ATDP1ALPIRECQL
SCHEMBL134058 0.71 KDM4E (1.00) KDM4EHIF1ATDP1ALPIRECQL
SCHEMBL180582 0.71 KDM4E (1.00) KDM4EHIF1ATDP1ALPIRECQL
SCHEMBL29375641 0.71 KDM4E (1.00) KDM4EHIF1ATDP1ALPIRECQL
SCHEMBL29352838 0.71 KDM4E (1.00) KDM4EHIF1ATDP1ALPIRECQL

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-1038516-A1 Cosmetic composition comprising kynurenine Uchikuga, Saburoh (JP) 2000-09-27 EP disclosed