SCHEMBL6698129

SCHEMBL6698129

O=C(NO)O[C@H]1NC(=O)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C12CCOC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.48
MMP1 P03956 13/20 0.48
MMP2 P08253 7/20 0.48
MMP3 P08254 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 2/20 0.41
MMP14 P50281 2/20 0.41
MMP12 P39900 1/20 0.41
ABCB11 O95342 1/20 0.37
MMP7 P09237 1/20 0.37
MMP10 P09238 1/20 0.37
ADAM17 P78536 1/20 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
SCHEMBL6692070 0.88 MMP13 (0.51) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6694370 0.85 MMP13 (0.54) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6693912 0.82 MMP13 (0.50) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6689106 0.79 S1PR5 (0.41) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6690999 0.74 MMP13 (0.58) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6698909 0.73 S1PR5 (0.40) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6697906 0.72 MMP13 (0.69) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6689447 0.71 MMP1 (0.38) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6693880 0.70 MMP1 (0.57) MMP13MMP1MMP2MMP3MMP9
SCHEMBL6703207 0.69 MMP13 (0.53) 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