SCHEMBL6201446

SCHEMBL6201446

CC#CCOC1CCN(S(=O)(=O)CC(CCCc2ncccn2)NO)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.35
MMP13 P45452 8/20 0.34
CYP3A4 P08684 1/20 0.34
ADAM17 P78536 11/20 0.33
MMP2 P08253 3/20 0.33
MMP8 P22894 1/20 0.33
ACACB O00763 1/20 0.32
HCRTR2 O43614 3/20 0.32
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL6201448 1.00 MMP7 (0.35) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL6166245 0.90 ACACB (0.34) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL5957537 0.90 ACACB (0.34) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL5957536 0.82 MMP7 (0.55) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL5957737 0.79 ADAM17 (0.35) MMP13ADAM17MMP2MMP8ACACB
SCHEMBL5957627 0.78 MMP7 (0.33) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL5957544 0.77 MMP13 (0.33) MMP7MMP13ADAM17MMP2MMP8
SCHEMBL5949327 0.75 ADAM17 (0.34) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL5957511 0.74 ADAM17 (0.34) MMP13ADAM17MMP2MMP8DPP4
SCHEMBL5957505 0.74 ADAM17 (0.34) MMP13ADAM17MMP2MMP8DPP4

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-1531821-A2 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ALKENYL OR ALKYNYL MOIETY FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-05-25 EP disclosed
WO-2004006927-A2 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ALKENYL OR ALKYNLY MOIETY FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed