SCHEMBL28414974

SCHEMBL28414974

C/C=C/c1ccc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA9 Q16790 4/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 2/20 0.53
TYR P14679 2/20 0.53
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
G6PD P11413 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
PTGS2 P35354 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL9482204 0.83 ACHE (0.56) CA12CA9CA1CA2TYR
SCHEMBL9482186 0.83 ACHE (0.56) CA12CA9CA1CA2TYR
SCHEMBL28803732 0.79 TYR (0.66) TYRPOLBKDM4EGAAMAPT
SCHEMBL27924045 0.79 TYR (0.66) TYRPOLBKDM4EGAAMAPT
SCHEMBL9189048 0.79 KDM4E (0.59) CA12CA9CA1CA2TYR
Helicide SCHEMBL23457333 0.76 TYR (0.69) TYRPOLBKDM4EGAAMAPT
Helicide SCHEMBL17822698 0.76 TYR (0.69) TYRPOLBKDM4EGAAMAPT
Helicide SCHEMBL987981 0.76 TYR (0.69) TYRPOLBKDM4EGAAMAPT
Helicide SCHEMBL9426962 0.76 TYR (0.69) TYRPOLBKDM4EGAAMAPT
Helicide SCHEMBL5030879 0.76 TYR (0.69) TYRPOLBKDM4EGAAMAPT

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
CN-111265539-A Application of tiliroside in preparation of anti-influenza drugs 暨南大学 2020-06-12 CN disclosed