SCHEMBL7348283

SCHEMBL7348283

O=C(O)C(CCCCCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.53
MMP12 P39900 4/20 0.53
MMP2 P08253 9/20 0.49
MMP9 P14780 7/20 0.49
MMP7 P09237 3/20 0.47
BCAT1 P54687 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.46
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
PTGDR Q13258 1/20 0.42
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL7344001 1.00 MMP13 (0.53) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7348895 0.99 MMP13 (0.54) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7351949 0.96 MMP13 (0.55) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7349914 0.93 MMP13 (0.58) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7346108 0.92 MMP12 (0.57) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7352707 0.92 MMP13 (0.59) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7351035 0.89 MMP13 (0.60) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7347931 0.89 MMP2 (0.58) MMP13MMP12MMP2MMP9MMP7
SCHEMBL7347760 0.87 MMP12 (0.58) MMP13MMP12MMP2MMP9MMP7
SCHEMBL6412817 0.86 MMP2 (0.62) MMP13MMP12MMP2MMP9MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed