SCHEMBL6586134

SCHEMBL6586134

CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2OC)c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.83
MMP2 P08253 9/20 0.83
MMP1 P03956 2/20 0.71
MMP9 P14780 2/20 0.71
MMP14 P50281 2/20 0.71
DHODH Q02127 1/20 0.39
ROCK2 O75116 1/20 0.38
USP5 P45974 1/20 0.38
CTPS1 P17812 1/20 0.38
CHRM3 P20309 1/20 0.37
QDPR P09417 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6584315 0.92 MMP3 (0.70) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6588374 0.92 MMP2 (0.70) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6585076 0.91 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6588416 0.91 MMP2 (0.68) MMP3MMP2MMP1MMP9MMP14
Dimethylamine SCHEMBL6974207 0.89 MMP3 (0.97) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586804 0.84 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586227 0.83 MMP2 (0.58) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6585851 0.83 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6587846 0.83 MMP2 (0.83) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586532 0.82 MMP2 (0.56) MMP3MMP2MMP1MMP9MMP14

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 8 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 claimed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US claimed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP claimed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO claimed
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US 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