SCHEMBL6586996

SCHEMBL6586996

COC(=O)CS(=O)(=O)N1CC(Oc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.74
NAAA Q02083 1/20 0.45
GAA P10253 1/20 0.43
ACACB O00763 1/20 0.41
MMP2 P08253 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6583574 0.85 MMP3 (1.00) MMP3NAAAMMP2
SCHEMBL6584929 0.76 MMP3 (0.72) MMP3GAAMMP2ALDH1A1LMNA
SCHEMBL6590060 0.74 MMP3 (0.73) MMP3MMP2ALDH1A1
SCHEMBL3414409 0.71 NAAA (0.58) MMP3NAAAACACBEPHX2ALDH1A1
SCHEMBL6586496 0.71 MMP2 (0.69) MMP3MMP2ALDH1A1
SCHEMBL6588226 0.69 MMP3 (0.60) MMP3MMP2ALDH1A1MAPT
SCHEMBL6590110 0.69 MMP3 (0.76) MMP3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL518106 0.68 NAMPT (0.56) MMP3NAAAEPHX2
SCHEMBL25094668 0.67 KDM4E (0.58) ALDH1A1LMNATSHR
SCHEMBL22174136 0.66 NAAA (0.51) MMP3NAAAEPHX2SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed