SCHEMBL7762087

SCHEMBL7762087

COC(=O)c1ccc(NC(=O)C(CC(C)C)NC(=O)C(CCCc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.52
MMP1 P03956 5/20 0.52
MMP7 P09237 1/20 0.52
MMP2 P08253 8/20 0.49
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA7 P43166 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
SCHEMBL9289897 0.91 MMP3 (0.58) MMP3MMP1MMP7MMP2
SCHEMBL7763165 0.89 MMP3 (0.56) MMP3MMP1MMP7MMP2
SCHEMBL7763668 0.88 MMP3 (0.54) MMP3MMP1MMP7MMP2
SCHEMBL7764977 0.87 MMP3 (0.59) MMP3MMP1MMP7MMP2
SCHEMBL7758535 0.87 MMP3 (0.59) MMP3MMP1MMP7MMP2
SCHEMBL7763782 0.86 MMP3 (0.51) MMP3MMP1MMP7MMP2
SCHEMBL7763701 0.82 MMP3 (0.50) MMP3MMP1MMP7MMP2
SCHEMBL7758445 0.82 MMP2 (0.52) MMP3MMP1MMP7MMP2
SCHEMBL7763176 0.82 MMP3 (0.53) MMP3MMP1MMP7MMP2
SCHEMBL7763812 0.81 MMP3 (0.54) MMP3MMP1MMP7MMP2

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