SCHEMBL19227359

SCHEMBL19227359

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ GSR P00390 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ PAOX Q6QHF9 3/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ CPB2 Q96IY4 4/20 0.36
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL17210488 0.84 GSR (0.42) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL25288214 0.84 FOLH1 (0.51) FOLH1GSRSLC6A5RNPEPCPB2
SCHEMBL31321061 0.84 FOLH1 (0.51) FOLH1GSRSLC6A5RNPEPCPB2
SCHEMBL2628440 0.77 SIRT6 (0.44) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL8291018 0.77 SIRT6 (0.44) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL24642434 0.77 SIRT6 (0.44) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL10442084 0.77 SIRT6 (0.44) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL12649292 0.77 SIRT6 (0.44) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL19647383 0.76 SIRT6 (0.44) SIRT6SIRT1FOLH1GSRSLC6A5
SCHEMBL17178883 0.76 SIRT6 (0.41) SIRT6SIRT1FOLH1GSRSLC6A5

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-2720715-B1 VACCINE COMPOSITION COMPRISING AN INACTIVATED CHIKUNGUNYA VIRUS STRAIN BHARAT BIOTECH INT LTD (IN) 2017-08-09 — — EP disclosed
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