SCHEMBL28221966

SCHEMBL28221966

COc1ccc(CC(NC(=O)C(N)CC(C)C)C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 18/20 0.60
▸ MMP3 P08254 4/20 0.57
▸ MMP9 P14780 2/20 0.57
▸ ADAM17 P78536 1/20 0.57
▸ MMP2 P08253 3/20 0.56
▸ MMP7 P09237 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP13 P45452 1/20 0.54

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
SCHEMBL28222036 1.00 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221962 1.00 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28222734 0.90 MMP1 (0.58) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221952 0.90 MMP1 (0.57) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL11119378 0.90 MMP1 (0.58) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28222730 0.90 MMP1 (0.58) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221950 0.90 MMP1 (0.57) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28860408 0.90 MMP1 (0.57) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10705472 0.89 MMP1 (0.71) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL5552437 0.87 MMP1 (0.54) MMP1MMP3MMP9ADAM17MMP2

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-108047304-A - 7 selective depressant of metalloproteinases and its preparation method and application 延边大学 2018-05-18 — — CN disclosed
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