SCHEMBL7447807

SCHEMBL7447807

COC(=O)c1ccccc1SC[C@@H](COc1ccc(-c2ccc(C#N)cc2)cc1)N(O)C=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.68
MMP2 P08253 16/20 0.54
MMP1 P03956 3/20 0.49
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7450099 1.00 MMP3 (0.68) MMP3MMP2MMP1EGFRPOLB
SCHEMBL7498355 0.81 MMP3 (1.00) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7507012 0.78 MMP3 (0.71) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7504451 0.78 MMP3 (0.77) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7504389 0.78 MMP2 (0.76) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7509014 0.74 MMP2 (0.73) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7499759 0.72 MMP2 (0.67) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7453489 0.71 MMP2 (1.00) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7501260 0.70 MMP2 (0.64) MMP3MMP2MMP1ALDH1A1HPGD
SCHEMBL7497786 0.70 MMP2 (1.00) MMP3MMP2MMP1

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-1001930-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 2000-05-24 EP disclosed
WO-1999006361-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed