SCHEMBL7353718

SCHEMBL7353718

C=CCOC(=O)NCCCCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.54
MMP9 P14780 8/20 0.54
MMP13 P45452 11/20 0.50
MMP1 P03956 2/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 2/20 0.50
MMP12 P39900 12/20 0.49
MMP8 P22894 3/20 0.41
MMP14 P50281 3/20 0.41
TGM2 P21980 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6416338 0.88 MMP2 (0.70) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7344997 0.87 MMP12 (0.55) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7344106 0.86 MMP12 (0.51) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7372175 0.86 MMP2 (0.53) MMP2MMP9MMP13MMP1MMP3
SCHEMBL6420328 0.85 MMP2 (0.66) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7343612 0.84 MMP2 (0.51) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7352548 0.81 MMP12 (0.53) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7352152 0.81 MMP12 (0.53) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7351458 0.81 MMP12 (0.53) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7351492 0.81 HDAC1 (0.54) MMP2MMP9MMP13MMP1MMP3

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
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
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