SCHEMBL7765078

SCHEMBL7765078

CC(O)C(NC(=O)C(CCCc1ccc(-c2ccc(C#N)cc2)cc1)CC(=O)O)C(=O)Nc1ccc([S+](C)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.44
MMP3 P08254 8/20 0.44
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
EP300 Q09472 2/20 0.37

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
SCHEMBL7758482 0.78 MMP2 (0.62) MMP2MMP3
SCHEMBL7758573 0.78 MMP2 (0.71) MMP2MMP3
SCHEMBL7048897 0.73 MMP2 (0.36) MMP2MMP3MMP12MMP1MMP9
SCHEMBL7761249 0.71 MMP2 (0.60) MMP2MMP3
SCHEMBL9289897 0.65 MMP3 (0.58) MMP2MMP3MMP1
SCHEMBL7763695 0.64 MMP2 (0.73) MMP2MMP3
SCHEMBL7758741 0.64 MMP2 (0.69) MMP2MMP3
SCHEMBL7763165 0.63 MMP3 (0.56) MMP2MMP3MMP1MMP9
SCHEMBL5613483 0.63 MMP12 (1.00) MMP2MMP3MMP12MMP13MMP9
SCHEMBL3466543 0.62 MMP12 (0.51) MMP2MMP3MMP12MMP13

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