SCHEMBL18720047

SCHEMBL18720047

C[C@H]1[C@H]([C@H](OC(=O)NCCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.51
▸ CA2 P00918 10/20 0.51
▸ CA9 Q16790 10/20 0.51
▸ CA12 O43570 6/20 0.51
▸ HTR3A P46098 2/20 0.49
▸ CA14 Q9ULX7 2/20 0.48
▸ CA7 P43166 1/20 0.48
▸ PTGER3 P43115 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ FKBP1A P62942 2/20 0.45
▸ ELF3 P78545 3/20 0.45
▸ MED23 Q9ULK4 3/20 0.45

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
SCHEMBL15216663 1.00 CA1 (0.51) CA1CA2CA9CA12HTR3A
SCHEMBL15216676 0.99 CA1 (0.51) CA1CA2CA9CA12HTR3A
SCHEMBL15216686 0.95 CA12 (0.44) CA1CA2CA9CA12HTR3A
SCHEMBL15218363 0.94 CA1 (0.50) CA1CA2CA9CA12HTR3A
SCHEMBL15218283 0.93 CA1 (0.50) CA1CA2CA9CA12HTR3A
SCHEMBL15216670 0.93 CA1 (0.49) CA1CA2CA9CA12HTR3A
SCHEMBL15216690 0.88 HTR3A (0.43) CA1CA2CA9CA12HTR3A
SCHEMBL15218282 0.87 CA1 (0.48) CA1CA2CA9CA12HTR3A
SCHEMBL15216675 0.86 HDAC3 (0.48) CA1CA2CA9CA12HTR3A
SCHEMBL15216667 0.85 CA1 (0.50) CA1CA2CA9CA12HTR3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9874562-B2 Zanamivir phosphonate congeners with anti-influenza activity and determining oseltamivir susceptibility of influenza viruses ACADEMIA SINICA (TW) 2018-01-23 — — US disclosed
US-20170102387-A1 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES ACADEMIA SINICA (TW) 2017-04-13 — — US disclosed
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