SCHEMBL7344393

SCHEMBL7344393

O=C(O)C(CCCCNS(=O)(=O)/C=C/c1ccccc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.53
MMP13 P45452 7/20 0.53
GAA P10253 3/20 0.45
HDAC1 Q13547 1/20 0.45
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
HTT P42858 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7344399 1.00 MMP12 (0.53) MMP12MMP13GAAHDAC1MMP2
SCHEMBL7347007 0.86 MMP13 (0.57) MMP12MMP13GAAMMP2MMP9
SCHEMBL7351492 0.86 HDAC1 (0.54) MMP12MMP13HDAC1MMP2MMP9
SCHEMBL7351489 0.86 HDAC1 (0.54) MMP12MMP13HDAC1MMP2MMP9
SCHEMBL7351117 0.83 MMP12 (0.53) MMP12MMP13GAAMMP2MMP9
SCHEMBL7343069 0.83 MMP13 (0.53) MMP12MMP13GAAMMP2MMP9
SCHEMBL7352052 0.83 MMP13 (0.53) MMP12MMP13GAAMMP2MMP9
SCHEMBL7354362 0.81 MMP12 (0.54) MMP12MMP13GAAMMP2MMP9
SCHEMBL7355517 0.81 MMP12 (0.52) MMP12MMP13GAAMMP2MMP9
SCHEMBL7344226 0.81 CYP1A2 (0.62) MMP12MMP13GAAMMP2MMP9

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