SCHEMBL3087487

SCHEMBL3087487

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GGT1 P19440 1/20 0.31
PPARD Q03181 1/20 0.31
TSHR P16473 1/20 0.31
GABRR1 P24046 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
SCHEMBL3105822 0.83 FOLH1 (0.37) FPR2GGT1PPARDTSHR
SCHEMBL3098722 0.82 FPR2 (0.43) FPR2MAPTMAPK1PPARDTSHR
SCHEMBL3098952 0.82 FOLH1 (0.42) GGT1
SCHEMBL3091741 0.81 PPARD (0.43) FPR2MAPTMAPK1PPARDTSHR
SCHEMBL3102342 0.80 CA2 (0.36) FPR2PPARDTSHR
SCHEMBL3094655 0.80 FPR2 (0.36) FPR2MAPTMAPK1PPARDTSHR
SCHEMBL3097954 0.80 GGH (0.49)
SCHEMBL3109219 0.80 FPR2 (0.34) FPR2MAPTMAPK1PPARDTSHR
SCHEMBL2993459 0.79 ECE1 (0.37) GGT1GABRR1GABBR2GABBR1
SCHEMBL3094248 0.77 PPARD (0.41) FPR2MAPTMAPK1PPARDTSHR

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