SCHEMBL7345990

SCHEMBL7345990

O=C(CCCCCc1ccccc1)NCCCCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.57
MMP9 P14780 14/20 0.57
MMP13 P45452 5/20 0.57
MMP1 P03956 3/20 0.57
MMP3 P08254 3/20 0.57
MMP7 P09237 3/20 0.57
MMP12 P39900 8/20 0.52
MMP8 P22894 6/20 0.52
MMP14 P50281 6/20 0.52
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 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
SCHEMBL7346447 0.97 MMP2 (0.59) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7346134 0.94 MMP2 (0.60) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7344211 0.94 MMP2 (0.65) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7349914 0.91 MMP13 (0.58) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7352707 0.90 MMP13 (0.59) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7351411 0.89 MMP2 (0.54) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7352548 0.89 MMP12 (0.53) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7349613 0.88 MMP2 (0.58) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7347931 0.88 MMP2 (0.58) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7349030 0.88 MMP2 (0.58) 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