SCHEMBL6950652

SCHEMBL6950652

O=C(NO)C1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.58
MMP3 P08254 7/20 0.58
MMP9 P14780 7/20 0.58
MMP13 P45452 7/20 0.58
MMP1 P03956 5/20 0.58
MMP8 P22894 3/20 0.58
MMP14 P50281 3/20 0.58
ADAM17 P78536 3/20 0.58
MMP7 P09237 2/20 0.58
ABCB11 O95342 1/20 0.58
MMP10 P09238 1/20 0.58
MMP12 P39900 1/20 0.51
ADAM10 O14672 12/20 0.49

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
SCHEMBL6948792 0.89 MMP13 (0.56) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6035791 0.88 MMP13 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6943318 0.88 ADAM10 (0.59) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6946980 0.85 MMP13 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6036512 0.82 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL12152323 0.81 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6952614 0.81 MMP13 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6943119 0.77 MMP13 (0.52) MMP2MMP13MMP14MMP12ADAM10
SCHEMBL6035783 0.77 MMP13 (0.58) MMP2MMP13MMP14MMP12
SCHEMBL6036011 0.76 MMP13 (0.55) MMP2MMP13MMP14MMP12ADAM10

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-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP claimed