SCHEMBL7758658

SCHEMBL7758658

O=C(O)CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)N(O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.50
MMP3 P08254 9/20 0.50
MMP1 P03956 7/20 0.50
MMP12 P39900 3/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL7761489 0.75 SYNJ2 (0.39) MMP2MMP3MMP1MMP12MMP9
SCHEMBL7762255 0.74 MMP2 (0.49) MMP2MMP3MMP12MMP9MMP13
SCHEMBL7758600 0.74 MMP12 (0.60) MMP2MMP3MMP12MMP9MMP13
SCHEMBL7758650 0.74 MMP2 (0.53) MMP2MMP3MMP1MMP12MMP9
SCHEMBL7762343 0.73 MMP2 (0.52) MMP2MMP3MMP1MMP12MMP9
SCHEMBL7763219 0.73 MMP2 (0.52) MMP2MMP3MMP1MMP12MMP9
SCHEMBL7763214 0.73 MMP2 (0.52) MMP2MMP3MMP1MMP12MMP9
SCHEMBL7758480 0.73 MMP2 (0.47) MMP2MMP3MMP12MMP9MMP13
SCHEMBL7765346 0.73 MMP2 (0.47) MMP2MMP3MMP12MMP9MMP13
SCHEMBL7758483 0.73 MMP2 (0.47) MMP2MMP3MMP12MMP9MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed