SCHEMBL10713868

SCHEMBL10713868

O=C(O)[C@H](NC(=O)N1CCN(N=Cc2ccc(O)c(O)c2)C(=O)C1=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.45
▸ POLB P06746 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 9/20 0.42
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ JAK2 O60674 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALPL P05186 2/20 0.38
▸ ALPI P09923 2/20 0.38
▸ ALPG P10696 2/20 0.38
▸ GFER P55789 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38

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
SCHEMBL10990529 0.92 KDM4E (0.42) KDM4EPOLBMAPTL3MBTL1GAA
SCHEMBL10990527 0.92 KDM4E (0.42) KDM4EPOLBMAPTL3MBTL1GAA
SCHEMBL10680460 0.89 MEN1 (0.38) KDM4EPOLBMAPTGAAMEN1
SCHEMBL10680454 0.89 MEN1 (0.38) KDM4EPOLBMAPTGAAMEN1
SCHEMBL11444997 0.89 MEN1 (0.38) KDM4EPOLBMAPTGAAMEN1
SCHEMBL11453387 0.89 MEN1 (0.38) KDM4EPOLBMAPTGAAMEN1
SCHEMBL10679992 0.81 MEN1 (0.38) KDM4EPOLBMAPTL3MBTL1GAA
SCHEMBL10679997 0.81 MEN1 (0.38) KDM4EPOLBMAPTL3MBTL1GAA
SCHEMBL10676899 0.78 MEN1 (0.37) KDM4EPOLBL3MBTL1GAAMEN1
SCHEMBL10676907 0.78 MEN1 (0.37) KDM4EPOLBL3MBTL1GAAMEN1

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-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 — — EP disclosed
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