SCHEMBL7758581

SCHEMBL7758581

COC(=O)c1ccc(NC(=O)C(NC(=O)C(CC(=O)O)CC(C)C)C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.61
MMP1 P03956 7/20 0.61
MMP7 P09237 1/20 0.61
MMP2 P08253 13/20 0.54
MMP9 P14780 4/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
ADAM17 P78536 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7763096 0.86 MMP3 (0.80) MMP3MMP1MMP7MMP2MMP9
SCHEMBL7758593 0.84 MMP2 (0.69) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7758588 0.83 MMP3 (0.47) MMP3MMP1MMP7MMP2L3MBTL1
SCHEMBL7763178 0.83 MMP2 (0.74) MMP3MMP2
SCHEMBL7762285 0.82 MMP2 (0.82) MMP3MMP2
SCHEMBL7765086 0.79 MMP1 (0.55) MMP3MMP1MMP7MMP2MMP9
SCHEMBL4633112 0.78 MMP3 (0.74) MMP3MMP1MMP7MMP2MMP9
SCHEMBL5088865 0.78 MMP3 (0.74) MMP3MMP1MMP7MMP2MMP9
SCHEMBL7763149 0.76 MMP1 (0.61) MMP3MMP1MMP7MMP2MMP9
SCHEMBL7762136 0.76 MMP1 (1.00) MMP3MMP1MMP7MMP2MMP9

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