SCHEMBL7208085

SCHEMBL7208085

O=C(NO)OC1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCOC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.68
MMP13 P45452 18/20 0.68
MMP2 P08253 3/20 0.50
MMP3 P08254 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP14 P50281 3/20 0.50
MMP7 P09237 2/20 0.50
ABCB11 O95342 1/20 0.48
MMP10 P09238 1/20 0.48
ADAM17 P78536 1/20 0.48
MMP12 P39900 1/20 0.46

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
SCHEMBL7214305 0.94 MMP1 (0.67) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7214282 0.90 MMP1 (0.68) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6967896 0.88 MMP1 (0.57) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6947434 0.87 MMP1 (0.69) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6960996 0.86 MMP1 (0.60) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7208089 0.83 MMP1 (0.67) MMP1MMP13MMP2MMP3MMP9
SCHEMBL24550 0.81 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL136290 0.81 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL3667056 0.79 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6954028 0.78 MMP1 (0.69) MMP1MMP13MMP2MMP3MMP9

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-1181286-B1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-11-12 EP claimed