SCHEMBL7345900

SCHEMBL7345900

O=C(COc1ccc(Cl)cc1)NCCCCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.50
MMP9 P14780 7/20 0.50
MMP12 P39900 5/20 0.47
MMP13 P45452 4/20 0.47
TP53 P04637 1/20 0.46
SGMS1 Q86VZ5 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
BCAT1 P54687 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 4/20 0.43
MMP8 P22894 3/20 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
SCHEMBL7344858 0.94 MMP12 (0.51) MMP2MMP9MMP12MMP13MEN1
SCHEMBL7372084 0.92 MMP2 (0.49) MMP2MMP9MMP12MMP13MEN1
SCHEMBL7352971 0.92 MEN1 (0.55) MMP2MMP9MMP12MMP13SGMS1
SCHEMBL7343304 0.90 MMP2 (0.46) MMP2MMP9MMP12MMP13MEN1
SCHEMBL7346117 0.90 ALDH1A1 (0.51) MMP2MMP9MMP12MMP13TP53
SCHEMBL7346914 0.90 MMP12 (0.47) MMP2MMP9MMP12MMP13MEN1
SCHEMBL7347931 0.86 MMP2 (0.58) MMP2MMP9MMP12MMP13BCAT1
SCHEMBL7348966 0.85 MMP12 (0.47) MMP2MMP9MMP12MMP13TP53
SCHEMBL7342570 0.85 MMP2 (0.48) MMP2MMP9MMP12MMP13MEN1
SCHEMBL7352548 0.83 MMP12 (0.53) MMP2MMP9MMP12MMP13MMP1

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