SCHEMBL12705648

SCHEMBL12705648

C[C@@H](CN(O)C=O)C(=O)NN

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 3/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL12705653 1.00 PDF (0.33) PDFHIF1ACA1CA2
SCHEMBL12705651 1.00 PDF (0.33) PDFHIF1ACA1CA2
SCHEMBL6941909 0.78 ALOX5 (0.32)
SCHEMBL1597846 0.72 CA1 (0.54) PDFCA1CA2
SCHEMBL1597844 0.72 CA1 (0.54) PDFCA1CA2
SCHEMBL1597847 0.72 CA1 (0.54) PDFCA1CA2
SCHEMBL14282158 0.70 PDF (0.64) PDF
SCHEMBL3560338 0.69
SCHEMBL19607556 0.69 HIF1A (0.46) HIF1ACA1CA2
SCHEMBL3895879 0.68 SLC1A3 (0.36) PDF

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-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed