SCHEMBL6697906

SCHEMBL6697906

O=C(NO)O[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.69
MMP1 P03956 7/20 0.69
MMP2 P08253 6/20 0.69
MMP3 P08254 4/20 0.69
MMP9 P14780 3/20 0.69
HTT P42858 1/20 0.41
LTA4H P09960 1/20 0.39
HDAC1 Q13547 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
S1PR5 Q9H228 1/20 0.38
MMP7 P09237 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6690792 0.91 MMP13 (0.66) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6693302 0.90 MMP13 (0.55) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6690704 0.90 MMP13 (0.72) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6691208 0.88 MMP1 (0.53) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6693818 0.85 MMP13 (0.71) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6689092 0.85 MMP13 (0.67) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6699992 0.83 MMP13 (0.73) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6691928 0.82 MMP13 (0.48) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6693892 0.82 MMP13 (1.00) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6691033 0.81 MMP13 (0.70) MMP13MMP1MMP2MMP3MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 EP claimed