SCHEMBL28818396

SCHEMBL28818396

O=C(Cc1ccc(F)cc1)Nc1ccc(COP(=O)(O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TSHR P16473 1/20 0.51
KLK7 P49862 2/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL31091007 0.82 TSHR (0.48) GAAKMT2AMEN1TSHRLMNA
SCHEMBL23965494 0.81 GAA (0.76) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21671137 0.79 GAA (0.71) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21837629 0.79 GAA (0.71) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL20715466 0.78 GAA (0.76) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL20467667 0.77 GAA (0.86) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL20467619 0.77 GAA (0.68) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL27432296 0.77 GAA (0.68) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21838034 0.76 GAA (0.83) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL17183464 0.76 SMN1; SMN2 (1.00) GAAKMT2AMEN1MAPK1SMN1; SMN2

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
CN-114787359-A Method for producing peptide containing unnatural amino acid 中外制药株式会社 2022-07-22 CN disclosed