SCHEMBL7057360

SCHEMBL7057360

C=CCOCC(N)C(O)OP(=O)(O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.31
CA4 P22748 1/20 0.30

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
SCHEMBL7056051 0.81 CA1 (0.41) CA1CA2CA7CA9CA4
SCHEMBL8015659 0.76 CA1 (0.35) CA1CA2CA7CA9
SCHEMBL14780431 0.69
SCHEMBL7052022 0.67 CA1 (0.39) CA1CA2CA7CA9CA4
SCHEMBL7051743 0.67 CA1 (0.48) CA1CA2CA7CA9CA4
SCHEMBL865368 0.67 GRIK1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL457154 0.67 GRIK1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL18604307 0.66 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL3268744 0.66 LPAR2 (0.35)
Foscarnet SCHEMBL8455927 0.66 CA1 (0.34) CA1CA2CA7CA9

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-0792275-B1 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 2004-03-03 EP disclosed