SCHEMBL24428751

SCHEMBL24428751

CC(C)(C)OC(=O)NCCC(CO)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
SLC1A3 P43003 1/20 0.51
SLC1A1 P43005 1/20 0.51
IDO1 P14902 1/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
PPARA Q07869 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.45
CTSS P25774 2/20 0.44
NTSR1 P30989 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL24593936 0.85 SYK (0.57) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL17860787 0.85 SYK (0.57) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL17878734 0.84 SYK (0.56) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL6619899 0.83 SYK (0.68) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL14360855 0.83 SYK (0.68) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL19057326 0.83 SYK (0.68) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL1627707 0.83 SYK (0.67) SYKIDO1MAPTL3MBTL1MEN1
SCHEMBL4142820 0.83 SYK (0.55) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL5441822 0.82 SYK (0.63) SYKSLC1A3SLC1A1IDO1MAPT
SCHEMBL16274170 0.82 SYK (0.63) SYKIDO1MAPTL3MBTL1MEN1

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
EP-3256446-B1 (2S,4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-4-(ETHOXYOXALYLAMINO)-2-HYDROXYMETHYL-2-METHYLPENTANOIC ACID AS NEPRILYSIN INHIBITOR THERAVANCE BIOPHARMA R&D IP LLC (US) 2022-05-18 EP disclosed