SCHEMBL7345207

SCHEMBL7345207

COc1ccc(CCC(=O)NCCCCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.53
MMP9 P14780 9/20 0.53
MMP13 P45452 4/20 0.53
MMP1 P03956 2/20 0.53
MMP3 P08254 2/20 0.53
MMP7 P09237 2/20 0.53
ALDH1A1 P00352 2/20 0.47
MMP12 P39900 7/20 0.47
ECE1 P42892 1/20 0.47
MMP8 P22894 5/20 0.47
MMP14 P50281 5/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ALPL P05186 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL7344028 0.92 MMP12 (0.49) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7350907 0.92 MMP2 (0.55) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7351049 0.90 MMP2 (0.49) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7344211 0.90 MMP2 (0.65) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7349030 0.89 MMP2 (0.58) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7347931 0.87 MMP2 (0.58) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7349613 0.86 MMP2 (0.58) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7344431 0.85 MMP2 (0.52) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7346447 0.85 MMP2 (0.59) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7345990 0.84 MMP2 (0.57) 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 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