SCHEMBL28270791

SCHEMBL28270791

CC1CC(NC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCC1CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMB5 P28074 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CXCR3 P49682 5/20 0.43
CCKAR P32238 1/20 0.42
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
AKT1 P31749 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL28269157 0.93 HDAC1 (0.44) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28269179 0.93 PSMB8 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28766304 0.93 PSMB8 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28270766 0.93 HDAC1 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28270796 0.92 PSMB8 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28270819 0.92 HDAC1 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28270767 0.91 ITGB3 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28270801 0.91 HDAC1 (0.44) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28269174 0.89 HDAC1 (0.43) PSMB8PSMB9PSMB5ITGB3ITGA2B
SCHEMBL28269373 0.89 PSMB8 (0.42) PSMB8PSMB9PSMB5ITGB3ITGA2B

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