SCHEMBL3097339

SCHEMBL3097339

CCOP(=O)(CNC(CC(C)=O)C(=O)O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
PPARD Q03181 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
FPR2 P25090 6/20 0.33
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
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3101417 0.89 CA2 (0.40) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3109325 0.86 ECE1 (0.37) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3094248 0.83 PPARD (0.41) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3108084 0.82 MAPT (0.42) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3098722 0.82 FPR2 (0.43) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3091741 0.81 PPARD (0.43) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3090822 0.81 FPR2 (0.46) MAPTFPR2ALDH1A1
SCHEMBL9505346 0.81 FPR2 (0.46) MAPTFPR2ALDH1A1
SCHEMBL3109219 0.79 FPR2 (0.34) TSHRPPARDMAPTMAPK1FPR2
SCHEMBL3097954 0.79 GGH (0.49)

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