SCHEMBL7762278

SCHEMBL7762278

O=C(O)C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N(CO)CCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.50
PTAFR P25105 3/20 0.45
TBXAS1 P24557 9/20 0.44
MMP2 P08253 3/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
LMNA P02545 1/20 0.41
MMP3 P08254 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
SCHEMBL7762276 1.00 MMP12 (0.50) MMP12PTAFRTBXAS1MMP2MMP9
SCHEMBL7762255 0.91 MMP2 (0.49) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7763158 0.91 MMP12 (0.54) MMP12PTAFRMMP2MMP9MMP14
SCHEMBL7763161 0.91 MMP12 (0.54) MMP12PTAFRMMP2MMP9MMP14
SCHEMBL7758480 0.78 MMP2 (0.47) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7765346 0.78 MMP2 (0.47) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7758483 0.78 MMP2 (0.47) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7758518 0.77 MMP12 (0.62) MMP12PTAFRMMP2MMP3
SCHEMBL7758513 0.77 MMP12 (0.62) MMP12PTAFRMMP2MMP3
SCHEMBL8047955 0.74 MMP12 (0.56) MMP12PTAFRTBXAS1LMNA

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 2 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