SCHEMBL28270789

SCHEMBL28270789

CC1CC(NC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)[C@H](N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
HDAC8 Q9BY41 3/20 0.36
HDAC1 Q13547 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CACNA1H O95180 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FPR3 P25089 1/20 0.33

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
SCHEMBL21219293 0.84 MEN1 (0.43) MEN1KMT2AGAADPP8DPP7
SCHEMBL21219295 0.84 MEN1 (0.43) MEN1KMT2AGAADPP8DPP7
SCHEMBL28270832 0.80 ITGB3 (0.52) ITGB3ITGA2BMAPT
SCHEMBL21009797 0.78 MEN1 (0.40) MEN1KMT2AGAADPP8DPP7
SCHEMBL19708418 0.78 MEN1 (0.40) MEN1KMT2AGAADPP8DPP7
SCHEMBL22962171 0.76 MEN1 (0.39) MEN1KMT2AGAAHDAC8HDAC1
SCHEMBL28270766 0.76 HDAC1 (0.43) HDAC8HDAC1TDP1ITGB3ITGA2B
SCHEMBL28270819 0.75 HDAC1 (0.43) HDAC8HDAC1TDP1ITGB3ITGA2B
SCHEMBL28270791 0.75 PSMB8 (0.44) HDAC8HDAC1ITGB3ITGA2B
SCHEMBL20873003 0.74 DPP8 (0.58) DPP8DPP7DPP4DPP9ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280075-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2022-05-20 CN disclosed
CN-109280075-A Peptide amide class compound and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2019-01-29 CN disclosed