SCHEMBL7344378

SCHEMBL7344378

CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GAA P10253 1/20 0.62
CTSK P43235 4/20 0.47
CTSS P25774 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
IDO1 P14902 1/20 0.46
GPR88 Q9GZN0 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
DRD2 P14416 2/20 0.44
CNR1 P21554 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
SCHEMBL4583816 0.92 MEN1 (0.54) MEN1KMT2AGAACTSKCTSS
SCHEMBL6500581 0.86 MEN1 (0.61) MEN1KMT2AGAACTSKCTSS
SCHEMBL6494079 0.86 MEN1 (0.61) MEN1KMT2AGAACTSKCTSS
SCHEMBL6491658 0.86 MEN1 (0.61) MEN1KMT2AGAACTSKCTSS
SCHEMBL5807532 0.84 JAK3 (0.54) MEN1KMT2AGAACTSKCTSS
SCHEMBL3718682 0.84 JAK3 (0.54) MEN1KMT2AGAACTSKCTSS
SCHEMBL29182105 0.84 MEN1 (0.49) MEN1KMT2AGAACTSKCTSS
SCHEMBL10323702 0.84 MEN1 (0.58) MEN1KMT2AGAACTSKCTSS
SCHEMBL118384 0.83 CTSK (0.51) MEN1KMT2AGAACTSKCTSS
SCHEMBL266021 0.83 CTSK (0.51) MEN1KMT2AGAACTSKCTSS

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
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed