SCHEMBL28019596

SCHEMBL28019596

O=C(O)CCCc1cccc(N2C(=O)CCC2=O)c1N1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 1/20 0.37
MAPK1 P28482 2/20 0.36
S1PR5 Q9H228 1/20 0.36
TBXAS1 P24557 1/20 0.36
HDAC3 O15379 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL487779 0.78 MGLL (0.57) MGLLMAPK1HDAC3ADRA1AHDAC4
SCHEMBL28755352 0.74 TLR9 (0.45) MEN1KMT2AMGLLMAPK1TLR9
SCHEMBL28418862 0.73 MGLL (0.54) MGLLTBXAS1HDAC3HDAC4HDAC1
SCHEMBL320710 0.69 MGLL (0.46) MEN1KMT2AMGLLMAPK1SMN1; SMN2
SCHEMBL8602139 0.69 MAPK1 (0.49) MEN1KMT2AMGLLMAPK1SMN1; SMN2
SCHEMBL4901236 0.69 TLR9 (0.49) MGLLMAPK1TLR9ALDH1A1HSP90AA1
SCHEMBL8510655 0.67 MGLL (0.49) MGLLMAPK1TBXAS1HDAC3ADRA1A
SCHEMBL5717701 0.66 NR1H3 (0.63) MEN1KMT2AMAPK1HDAC3ADRA1A
SCHEMBL13056396 0.66 TLR9 (0.74) MEN1KMT2AMGLLMAPK1TLR9
SCHEMBL8014587 0.66 MGLL (0.50) MGLLPTGS1PTGS2

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-104640980-A Method for purifying transgenic factor VII LAB FRANCAIS DU FRACTIONNEMENT 2015-05-20 CN disclosed