SCHEMBL8474485

SCHEMBL8474485

O=C(NO)[C@]1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)C[C@@H]2OCO[C@@H]2C1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.70
MMP13 P45452 9/20 0.70
ADAM17 P78536 10/20 0.53
MMP9 P14780 4/20 0.52
MMP2 P08253 3/20 0.52
MMP14 P50281 2/20 0.52
ADAMTS5 Q9UNA0 2/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP3 P08254 2/20 0.48
MMP8 P22894 1/20 0.48
ADAMTS7 Q9UKP4 1/20 0.47
MMP10 P09238 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
SCHEMBL7136790 0.91 MMP1 (0.59) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7137896 0.90 MMP1 (0.57) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7134718 0.88 MMP1 (0.58) MMP1MMP13ADAM17ADAMTS4
SCHEMBL7001936 0.86 MMP1 (0.70) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7001933 0.86 MMP1 (0.70) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL6946809 0.82 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7137267 0.82 MMP1 (0.59) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7137286 0.82 MMP1 (0.48) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7139183 0.81 MMP1 (0.59) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7141116 0.81 MMP1 (0.51) MMP1MMP13ADAM17MMP9MMP2

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-1041072-B1 Dioxocyclopentyl hydroxamic acids PFIZER PROD INC (US) 2003-07-16 EP disclosed