SCHEMBL3099111

SCHEMBL3099111

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
FPR2 P25090 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.33
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PLAU P00749 1/20 0.32
CPB2 Q96IY4 1/20 0.31
HPGDS O60760 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 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
SCHEMBL3095596 0.96 CPB2 (0.36) CYP1A2FPR2MEN1KMT2APPARD
SCHEMBL3105822 0.88 FOLH1 (0.37) CYP1A2FPR2MEN1KMT2APPARD
SCHEMBL3098098 0.86 FPR2 (0.43) FPR2PPARDTSHRCA12CA1
SCHEMBL3105775 0.86 FPR2 (0.37) CYP1A2FPR2MEN1KMT2APPARD
SCHEMBL3100418 0.85 PPARD (0.42) FPR2PPARDTSHRCA12CA1
SCHEMBL3103384 0.85 CA12 (0.39) FPR2PPARDTSHRCA12CA1
SCHEMBL3098952 0.84 FOLH1 (0.42) CA12CA1CA2CA9CPB2
SCHEMBL3091598 0.84 PLAU (0.34) FPR2PPARDTSHRPLAU
SCHEMBL3106298 0.84 FPR2 (0.34) FPR2KMT2APPARDTSHRPLAU
SCHEMBL3106289 0.83 CA12 (0.41) FPR2CA12CA1CA2CA9

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