SCHEMBL28884248

SCHEMBL28884248

Cc1cccc(Cl)c1C(=O)N[C@@H](CNC(=O)CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 16/20 0.57
▸ ITGA5 P08648 3/20 0.57
▸ ITGA4 P13612 13/20 0.46
▸ ITGB7 P26010 4/20 0.46
▸ ITGA2 P17301 1/20 0.46
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ ITGAV P06756 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL28884249 1.00 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL28884201 0.95 ITGB1 (0.62) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455393 0.93 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL30001027 0.93 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455394 0.93 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL28884210 0.89 ITGB1 (0.73) ITGB1ITGA5ITGA4PRMT5WDR77
SCHEMBL23455519 0.87 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77HDAC3
SCHEMBL23455521 0.87 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77HDAC3
SCHEMBL30001345 0.87 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77HDAC3
SCHEMBL28884197 0.87 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2

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-115348861-A Alpha-5 beta-1 inhibitors 加利福尼亚大学董事会 2022-11-15 — — CN disclosed
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