SCHEMBL7758650

SCHEMBL7758650

O=C(O)CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.53
MMP3 P08254 12/20 0.53
MMP1 P03956 6/20 0.53
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 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
SCHEMBL6267760 0.91 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7763219 0.82 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP12
SCHEMBL7763214 0.82 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP12
SCHEMBL7762343 0.82 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP12
SCHEMBL7761416 0.79 MMP2 (0.49) MMP2MMP3MMP1
SCHEMBL7763694 0.77 MMP2 (0.47) MMP2MMP3MMP1
SCHEMBL7758600 0.75 MMP12 (0.60) MMP2MMP3MMP9MMP12MMP13
SCHEMBL7758658 0.74 MMP2 (0.50) MMP2MMP3MMP1MMP9MMP12
SCHEMBL7761483 0.73 HK1 (0.57) MMP2MMP3MMP1MMP12
SCHEMBL7451470 0.72 TDP1 (0.39)

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