SCHEMBL3097326

SCHEMBL3097326

CCOP(=O)(CN[C@H](C(N)=O)C(O)c1ccccc1)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
AOC3 Q16853 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FPR2 P25090 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3091512 0.90 MAPT (0.56) MAPTMAPK1POLBNPSR1HPGD
SCHEMBL3097190 0.81 ANPEP (0.42)
SCHEMBL3097208 0.81 ANPEP (0.42)
SCHEMBL3100652 0.78 TSHR (0.35) MAPTMAPK1TSHRGAAFPR2
SCHEMBL14064052 0.77 MAPT (0.50) MAPTMAPK1POLBNPSR1HPGD
SCHEMBL3097313 0.76 TSHR (0.36) NPSR1TSHRGAAALDH1A1FPR2
SCHEMBL3098284 0.75 FPR2 (0.52) MAPTMAPK1GAAFPR2
SCHEMBL3102568 0.74 FPR2 (0.43) MAPTMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL3102486 0.74 FPR2 (0.44) TSHRGAAALDH1A1FPR2
SCHEMBL27873367 0.71 ADRA2C (0.53) MAPTPOLBNPSR1HPGDALOX15

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