SCHEMBL3103245

SCHEMBL3103245

CCOP(=O)(CN[C@@H](CCCCNC(=N)N)C(=O)O)OCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
FOLH1 Q04609 9/20 0.34
TLR2 O60603 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NOD1 Q9Y239 2/20 0.33
FPR2 P25090 1/20 0.32
C3AR1 Q16581 1/20 0.32
S1PR2 O95136 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL3095595 0.96 CA12 (0.36) CA12CA1CA2CA9FOLH1
SCHEMBL3097941 0.91 CA12 (0.39) CA12CA1CA2CA9FPR2
SCHEMBL3091646 0.90 CA12 (0.40) CA12CA1CA2CA9FOLH1
SCHEMBL3109030 0.88 CA12 (0.37) CA12CA1CA2CA9FPR2
SCHEMBL3100588 0.87 FPR2 (0.35) CA12CA1CA2CA9FPR2
SCHEMBL3097853 0.86 C3AR1 (0.43) CA12CA1CA2CA9FOLH1
SCHEMBL3098952 0.82 FOLH1 (0.42) CA12CA1CA2CA9FOLH1
SCHEMBL2985776 0.82 OTC (0.38) CA12CA1CA2CA9FOLH1
SCHEMBL27743692 0.82 OTC (0.38) CA12CA1CA2CA9FOLH1
SCHEMBL3106289 0.81 CA12 (0.41) CA12CA1CA2CA9TLR2

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed