SCHEMBL30730732

SCHEMBL30730732

COc1ccc(NC(=O)C(CCCCN)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
HDAC4 P56524 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC8 Q9BY41 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
KLKB1 P03952 1/20 0.48
SIRT5 Q9NXA8 1/20 0.46
PDF Q9HBH1 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL5971347 0.88 KLKB1 (0.62) MMP2MMP9HDAC4HDAC1HDAC8
SCHEMBL7210563 0.88 HDAC4 (0.53) MMP2MMP9HDAC4HDAC1HDAC8
SCHEMBL7208633 0.88 HDAC4 (0.53) MMP2MMP9HDAC4HDAC1HDAC8
SCHEMBL6350473 0.87 HDAC4 (0.54) MMP2MMP9HDAC4HDAC1HDAC8
SCHEMBL27037026 0.85 KLKB1 (0.52) HDAC1KLKB1PDFMAPTALDH1A1
SCHEMBL5970884 0.85 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5970876 0.85 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL8377514 0.84 PDF (0.65) MMP2MMP9HDAC4HDAC1HDAC8
Hydrochloric Acid SCHEMBL6710585 0.84 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7
Hydrochloric Acid SCHEMBL5970420 0.84 HDAC4 (0.52) HDAC4HDAC1HDAC8HDAC3HDAC7

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
EP-4559901-A1 RADIOLABELED ACTIVATED ESTER AND PRECURSOR THEREOF Institute of Science Tokyo (JP) 2025-05-28 EP disclosed
WO-2024019014-A1 RADIOLABELED ACTIVATED ESTER AND PRECURSOR THEREOF 国立大学法人東京工業大学 2024-01-25 WO disclosed