SCHEMBL7344997

SCHEMBL7344997

CC(C)COC(=O)NCCCCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 16/20 0.55
MMP13 P45452 14/20 0.55
MMP2 P08253 6/20 0.54
MMP9 P14780 6/20 0.54
MMP3 P08254 2/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MMP14 P50281 3/20 0.43
MMP8 P22894 2/20 0.43

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
SCHEMBL6416338 0.89 MMP2 (0.70) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7372175 0.88 MMP2 (0.53) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7353718 0.87 MMP2 (0.54) MMP12MMP13MMP2MMP9MMP3
SCHEMBL6420328 0.86 MMP2 (0.66) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7343612 0.84 MMP2 (0.51) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7352548 0.82 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7352152 0.82 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7351458 0.82 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7344858 0.82 MMP12 (0.51) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7343557 0.82 MMP2 (0.47) MMP12MMP13MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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