SCHEMBL9545302

SCHEMBL9545302

CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
CTSK P43235 3/20 0.54
CTSS P25774 1/20 0.54
ADORA1 P30542 1/20 0.51
DRD2 P14416 1/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CXCR3 P49682 1/20 0.47
NAMPT P43490 1/20 0.47
MMP8 P22894 1/20 0.47
PSMB11 A5LHX3 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB8 P28062 1/20 0.47

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
SCHEMBL9544232 0.90 KMT2A (0.69) KMT2ACTSKCTSSADORA1HDAC8
SCHEMBL1357714 0.90 KMT2A (0.69) KMT2ACTSKCTSSADORA1HDAC8
SCHEMBL1357718 0.90 KMT2A (0.69) KMT2ACTSKCTSSADORA1HDAC8
SCHEMBL9543730 0.85 CTSL (0.55) KMT2ACTSKCTSSMEN1
SCHEMBL5444581 0.84 CTSK (0.59) KMT2ACTSKCTSSADORA1L3MBTL1
SCHEMBL9545318 0.84 CTSK (0.54) CTSKCTSSMAPTL3MBTL1MAPK1
SCHEMBL9545088 0.83 CCKBR (0.54) KMT2ACTSKCTSSMEN1
SCHEMBL28650975 0.82 CTSK (0.56) KMT2ACTSKDRD2MEN1MAPT
SCHEMBL29758964 0.82 CTSK (0.56) KMT2ACTSKDRD2MEN1MAPT
SCHEMBL18215088 0.82 CTSK (0.56) KMT2ACTSKDRD2MEN1MAPT

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed