SCHEMBL7347267

SCHEMBL7347267

O=C(CC1(Sc2ccccc2Oc2ccc(F)cc2)CCOCC1)NO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.47
MMP13 P45452 12/20 0.44
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP14 P50281 2/20 0.43
MMP12 P39900 1/20 0.43
CYP19A1 P11511 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
SCHEMBL7308395 0.84 MMP1 (0.48) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7304792 0.79 MMP1 (0.60) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7303599 0.74 MMP1 (0.49) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301981 0.73 MMP1 (0.61) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7300368 0.72 MMP1 (0.40) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7312678 0.71 MMP1 (0.43) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7305971 0.71 MMP1 (0.40) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7302762 0.70 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7309128 0.70 MMP1 (0.49) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7298907 0.68 MMP1 (0.42) MMP1MMP13

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-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP claimed