SCHEMBL7998397

SCHEMBL7998397

COc1ccc(OC2O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
CYP2C9 P11712 1/20 0.54
LGALS8 O00214 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA5B Q9Y2D0 3/20 0.44

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
SCHEMBL4186934 0.90 LGALS8 (0.56) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL23121475 0.90 LGALS8 (0.50) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL4186930 0.90 LGALS8 (0.56) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL7998399 0.88 TSHR (0.49) MEN1CYP3A4KMT2ATP53LGALS8
SCHEMBL7945964 0.87 CYP3A4 (0.65) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL22073058 0.87 CYP3A4 (0.65) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL4182296 0.87 CYP3A4 (0.65) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL22710592 0.87 CYP3A4 (0.65) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL16689628 0.87 CYP3A4 (0.65) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL18022553 0.87 CYP3A4 (0.65) MEN1CYP3A4KMT2ATP53CYP2C9

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
US-6294521-B1 SUGAR PHOSPHATES AUSTRALIAN NATIONAL UNIVERSITY (AU) 2001-09-25 US disclosed