SCHEMBL24371822

SCHEMBL24371822

CC(=O)OC1OC(COCc2ccccc2)C(OCc2ccccc2)C1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.60
PTPN1 P18031 10/20 0.53
CDC25B P30305 8/20 0.53
LMNA P02545 1/20 0.50
PTPN2 P17706 5/20 0.49
PTPN11 Q06124 5/20 0.49
PTPN6 P29350 4/20 0.49
TACR2 P21452 2/20 0.49
SSTR1 P30872 1/20 0.48
SSTR2 P30874 1/20 0.48
SSTR4 P31391 1/20 0.48
SSTR3 P32745 1/20 0.48
SSTR5 P35346 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7215148 1.00 NT5E (0.60) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL7215147 1.00 NT5E (0.60) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL18744566 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL8222985 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL4185190 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL7174275 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL7174279 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL8227939 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL8227941 0.99 NT5E (0.59) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL22582812 0.96 NT5E (0.61) NT5EPTPN1CDC25BLMNAPTPN2

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-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 EP disclosed