SCHEMBL28884201

SCHEMBL28884201

CC(C)(C)OC(=O)Nc1cccc(C(=O)NCC(=O)NCC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 13/20 0.62
▸ ITGA5 P08648 6/20 0.62
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ ITGA4 P13612 8/20 0.42
▸ ITGAV P06756 3/20 0.42
▸ ITGB8 P26012 1/20 0.41
▸ ITGA2 P17301 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ ITGB5 P18084 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ GPR139 Q6DWJ6 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL28884248 0.95 ITGB1 (0.57) ITGB1ITGA5PRMT5WDR77ITGA4
SCHEMBL28884249 0.95 ITGB1 (0.57) ITGB1ITGA5PRMT5WDR77ITGA4
SCHEMBL28884210 0.93 ITGB1 (0.73) ITGB1ITGA5PRMT5WDR77ITGA4
SCHEMBL23455521 0.92 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77LMNA
SCHEMBL23455519 0.92 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77LMNA
SCHEMBL30001345 0.92 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77LMNA
SCHEMBL23455349 0.89 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77ITGA4
SCHEMBL23455612 0.89 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77ITGA4
SCHEMBL23455609 0.89 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77ITGA4
SCHEMBL23455347 0.89 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77ITGA4

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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