SCHEMBL28229751

SCHEMBL28229751

NC(=O)CCC(NC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
PIN1 Q13526 1/20 0.54
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
MMP2 P08253 4/20 0.50
MMP8 P22894 2/20 0.50
MMP12 P39900 2/20 0.50
MMP13 P45452 2/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
MMP9 P14780 3/20 0.49
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
MMP3 P08254 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
SCHEMBL5273134 1.00 KMT2A (0.57) KMT2APIN1ITGB3ITGA2BMMP2
SCHEMBL402067 0.92 SMN1; SMN2 (0.55) KMT2APIN1ITGB3ITGA2BMMP2
SCHEMBL29734985 0.91 MMP2 (0.59) KMT2APIN1ITGB3ITGA2BMMP2
SCHEMBL9597788 0.88 NAALAD2 (0.64) PIN1ITGB3ITGA2BMMP2MMP8
SCHEMBL19418961 0.88 NAALAD2 (0.64) PIN1ITGB3ITGA2BMMP2MMP8
SCHEMBL24533898 0.88 PIN1 (0.59) PIN1ITGB3ITGA2BHDAC2HDAC8
SCHEMBL236526 0.87 KMT2A (0.58) KMT2AITGB3ITGA2BMMP2NAALAD2
SCHEMBL6249937 0.87 KMT2A (0.58) KMT2AITGB3ITGA2BMMP2NAALAD2
SCHEMBL5272643 0.87 ALDH1A1 (0.58) KMT2APIN1ITGB3ITGA2BHDAC2
SCHEMBL6249941 0.87 KMT2A (0.58) KMT2AITGB3ITGA2BMMP2NAALAD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114306297-A Proteasome inhibitors and uses thereof 康奈尔大学 2022-04-12 CN disclosed
CN-108351169-B Proteasome inhibitors and uses thereof 康奈尔大学 2022-01-28 CN disclosed
CN-108351169-A Proteasome inhibitors and uses thereof 康奈尔大学 2018-07-31 CN disclosed