SCHEMBL27727372

SCHEMBL27727372

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ MMP3 P08254 1/20 0.56
▸ MMP7 P09237 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MMP13 P45452 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ GPR119 Q8TDV5 4/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ TGFBR1 P36897 1/20 0.45
▸ HTR6 P50406 1/20 0.45

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
SCHEMBL7889219 0.88 MMP1 (0.57) MMP1MMP9MMP3MMP7MMP13
SCHEMBL1947519 0.88 MMP1 (0.57) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4037002 0.88 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4035557 0.88 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4038681 0.88 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL14400848 0.87 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL763824 0.87 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL1467589 0.87 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL1467588 0.87 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL309055 0.86 MMP1 (0.55) MMP1MMP9MMP3MMP7MMP13

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-101356164-A Novel compounds ASTRAZENECA AB (SE) 2009-01-28 — — CN disclosed
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