SCHEMBL6949360

SCHEMBL6949360

O=C(NO)OC1(NS(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.74
MMP13 P45452 17/20 0.74
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
MMP14 P50281 2/20 0.57
MMP3 P08254 1/20 0.57
MMP8 P22894 1/20 0.57
MMP12 P39900 1/20 0.57
ADAM17 P78536 1/20 0.54
ADAM33 Q9BZ11 1/20 0.47
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 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
SCHEMBL6945640 0.91 MMP13 (0.61) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6950277 0.85 MMP1 (0.66) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6950890 0.85 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7208089 0.82 MMP1 (0.67) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7209175 0.81 MMP1 (0.89) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6967193 0.80 MMP1 (0.66) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6953409 0.79 MMP1 (0.86) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6954028 0.78 MMP1 (0.69) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6965530 0.78 MMP1 (0.67) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6957161 0.78 MMP1 (0.67) MMP1MMP13MMP2MMP9MMP14

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-1070058-B1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-05-02 EP claimed