SCHEMBL7344858

SCHEMBL7344858

O=C(COc1ccccc1)NCCCCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.51
MMP13 P45452 7/20 0.51
MMP2 P08253 11/20 0.47
MMP9 P14780 10/20 0.47
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 3/20 0.46
MMP14 P50281 5/20 0.46
MMP8 P22894 4/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
ADAMTS4 O75173 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7345900 0.94 MMP2 (0.50) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7352971 0.94 MEN1 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL7343304 0.92 MMP2 (0.46) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7346914 0.92 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7348966 0.89 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7346117 0.87 ALDH1A1 (0.51) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7352548 0.86 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7372084 0.86 MMP2 (0.49) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7352969 0.85 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7344211 0.85 MMP2 (0.65) MMP12MMP13MMP2MMP9MMP1

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