SCHEMBL3100652

SCHEMBL3100652

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
PPARD Q03181 1/20 0.35
FPR2 P25090 5/20 0.34
PLAU P00749 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PGD P52209 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 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
SCHEMBL3097313 0.89 TSHR (0.36) TSHRPPARDFPR2PLAUCA12
SCHEMBL3102486 0.86 FPR2 (0.44) TSHRPPARDFPR2PLAUCA12
SCHEMBL3095559 0.85 ALDH1A1 (0.38) TSHRPPARDFPR2MAPTMAPK1
SCHEMBL3109175 0.81 TSHR (0.39) TSHRPPARDFPR2PLAUMAPT
SCHEMBL3097326 0.78 MAPT (0.54) TSHRFPR2MAPTMAPK1GAA
SCHEMBL3102882 0.78 ANPEP (0.32) PGD
SCHEMBL3102891 0.78 ANPEP (0.32) PGD
SCHEMBL3097993 0.77 ALDH1A1 (0.46) TSHRPPARDFPR2MAPTMAPK1
SCHEMBL3103058 0.76 FPR2 (0.44) TSHRPPARDFPR2PLAUCA12
SCHEMBL3098905 0.75 FPR2 (0.45) TSHRPPARDFPR2CA1CA2

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