SCHEMBL4039362

SCHEMBL4039362

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C(OC(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.52
MMP9 P14780 3/20 0.52
MMP3 P08254 2/20 0.52
MMP7 P09237 2/20 0.52
USP30 Q70CQ3 4/20 0.48
MMP13 P45452 3/20 0.46
HSD11B1 P28845 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL4038034 0.94 MMP1 (0.53) MMP1MMP9MMP3MMP7USP30
SCHEMBL4036361 0.86 MMP9 (0.60) MMP1MMP9MMP3MMP7USP30
SCHEMBL4038253 0.86 MMP9 (0.60) MMP1MMP9MMP3MMP7USP30
SCHEMBL4037002 0.79 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL27727372 0.79 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4035557 0.79 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4038681 0.79 MMP1 (0.62) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4035097 0.77 ALOX15 (0.47)
Hydroxyamine SCHEMBL6273391 0.76 MMP3 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL17800319 0.76 MMP1 (0.53) 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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed