SCHEMBL7350497

SCHEMBL7350497

O=C(O)C(CCCCNC(=S)NC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.50
MMP13 P45452 6/20 0.50
MMP2 P08253 10/20 0.44
MMP9 P14780 10/20 0.44
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP8 P22894 4/20 0.41
MMP14 P50281 4/20 0.41
BMP1 P13497 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7348836 0.88 BMP1 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7349058 0.83 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7352006 0.83 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7345046 0.83 MMP12 (0.47) MMP12MMP13MMP2MMP9ALDH1A1
SCHEMBL7351458 0.82 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7352548 0.82 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7352152 0.82 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7351735 0.82 MMP12 (0.46) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7347007 0.82 MMP13 (0.57) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7344211 0.81 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