SCHEMBL3095595

SCHEMBL3095595

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
C3AR1 Q16581 1/20 0.34
FPR2 P25090 3/20 0.32
OTC P00480 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
NOD1 Q9Y239 3/20 0.31
PLAU P00749 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY4R P50391 2/20 0.31
NPY1R P25929 1/20 0.31
FOLH1 Q04609 5/20 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
SCHEMBL3103245 0.96 CA12 (0.38) CA12CA1CA2CA9C3AR1
SCHEMBL3109030 0.91 CA12 (0.37) CA12CA1CA2CA9FPR2
SCHEMBL3100588 0.90 FPR2 (0.35) CA12CA1CA2CA9FPR2
SCHEMBL3097853 0.90 C3AR1 (0.43) CA12CA1CA2CA9C3AR1
SCHEMBL3097941 0.88 CA12 (0.39) CA12CA1CA2CA9FPR2
SCHEMBL3091646 0.86 CA12 (0.40) CA12CA1CA2CA9C3AR1
SCHEMBL2991505 0.81 OTC (0.42) C3AR1OTCFNTAFNTBITGB3
SCHEMBL2991514 0.81 OTC (0.42) C3AR1OTCFNTAFNTBITGB3
SCHEMBL3105822 0.81 FOLH1 (0.37) CA12CA1CA2CA9FPR2
SCHEMBL3105997 0.81 FPR2 (0.31) FPR2

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