SCHEMBL6586227

SCHEMBL6586227

COC(=O)C(C)(C)S(=O)(=O)N1CCC(c2ccc(-c3cccc(OC)c3)c(OC)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.58
MMP3 P08254 8/20 0.58
MMP1 P03956 2/20 0.57
MMP9 P14780 2/20 0.57
MMP14 P50281 2/20 0.57
USP5 P45974 1/20 0.43
QDPR P09417 1/20 0.41
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 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
SCHEMBL6588374 0.92 MMP2 (0.70) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586532 0.91 MMP2 (0.56) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584315 0.91 MMP3 (0.70) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6432618 0.84 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588416 0.84 MMP2 (0.68) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586134 0.83 MMP3 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587846 0.83 MMP2 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586333 0.82 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6438199 0.81 MMP3 (0.62) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436990 0.81 MMP3 (0.69) MMP2MMP3MMP1MMP9MMP14

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 4 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
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