SCHEMBL27230489

SCHEMBL27230489

CC(C)(C)OC(=O)NC(Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
AAK1 Q2M2I8 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ACE P12821 1/20 0.41
DGAT1 O75907 1/20 0.39
CTSS P25774 4/20 0.37
CTSK P43235 3/20 0.37
IDO1 P14902 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
USP30 Q70CQ3 2/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL27207979 1.00 PTPN1 (0.42) PTPN1AAK1ITGB3ITGA2BPRMT5
SCHEMBL30987831 0.91 AAK1 (0.41) PTPN1AAK1PRMT5WDR77DGAT1
SCHEMBL17002747 0.83 CTSS (0.46) PTPN1AAK1ITGB3ITGA2BPRMT5
SCHEMBL2949460 0.83 PRMT5 (0.56) AAK1PRMT5WDR77DGAT1USP30
SCHEMBL28821999 0.79 AAK1 (0.45) PTPN1AAK1ITGB3ITGA2BPRMT5
SCHEMBL27207972 0.79 PTPN1 (0.48) PTPN1AAK1ITGB3ITGA2BACE
SCHEMBL27208784 0.79 PTPN1 (0.48) PTPN1AAK1ITGB3ITGA2BACE
SCHEMBL1818990 0.78 ITGB3 (0.56) PTPN1AAK1ITGB3ITGA2BACE
SCHEMBL5892821 0.78 ITGB3 (0.56) PTPN1AAK1ITGB3ITGA2BACE
SCHEMBL1818988 0.78 ITGB3 (0.56) PTPN1AAK1ITGB3ITGA2BACE

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
EP-4361159-A1 BORONO-PHENYLALANINE DERIVATIVE Stella Pharma Corporation (JP) 2024-05-01 EP disclosed