SCHEMBL6885607

SCHEMBL6885607

COC1CC(NC(=O)OC(C)(C)C)(C(CO)C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
APLNR P35414 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BTK Q06187 1/20 0.30
CACNA1H O95180 1/20 0.30
CTSL P07711 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL1963074 0.82 MEN1 (0.37) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL6884524 0.75 MEN1 (0.35) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL6884925 0.75 KMT2A (0.39) KMT2AMEN1MAPK1HDAC4HDAC1
SCHEMBL12070305 0.74 MEN1 (0.35) KMT2AMEN1MAPK1HDAC4HDAC1
SCHEMBL13642116 0.73 EPHX2 (0.39) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL15888154 0.71 KMT2A (0.38) KMT2AMEN1MAPK1HDAC4HDAC1
SCHEMBL6884521 0.69 MEN1 (0.39) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL1964648 0.67 MEN1 (0.38) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL6884817 0.67 MEN1 (0.38) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL13742611 0.66 MEN1 (0.42) KMT2AMEN1MAPK1HDAC4HDAC1

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-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed