SCHEMBL6586129

SCHEMBL6586129

COC(=O)CS(=O)(=O)N1CC=C(c2ccc(-c3cccc(OC)c3)c(OC)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.70
MMP3 P08254 12/20 0.70
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
QDPR P09417 1/20 0.41
ADAM10 O14672 1/20 0.41
MMP9 P14780 1/20 0.41
HSD11B1 P28845 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
DHODH Q02127 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
SCHEMBL6590304 0.93 MMP2 (0.69) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6586433 0.91 MMP2 (0.85) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6587364 0.91 MMP2 (0.63) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6586229 0.84 MMP2 (0.59) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6590619 0.83 MMP2 (0.65) MMP2MMP3CCNT1CDK9QDPR
SCHEMBL6588532 0.83 MMP2 (0.84) MMP2MMP3CCNT1CDK9MMP9
SCHEMBL6586903 0.83 MMP3 (1.00) MMP2MMP3ADAM10MMP9
SCHEMBL6586371 0.82 MMP3 (0.77) MMP2MMP3QDPR
SCHEMBL6586646 0.81 MMP2 (0.71) MMP2MMP3CCNT1CDK9MMP9
SCHEMBL6590166 0.81 MMP2 (0.84) MMP2MMP3CCNT1CDK9DHODH

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 2 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
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed