SCHEMBL7301981

SCHEMBL7301981

O=C(CC1(Sc2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1)NO

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.61
MMP13 P45452 10/20 0.50
MMP14 P50281 6/20 0.50
MMP2 P08253 5/20 0.50
MMP3 P08254 5/20 0.50
MMP9 P14780 5/20 0.50
MMP8 P22894 5/20 0.50
MMP7 P09237 2/20 0.50
ABCB11 O95342 1/20 0.50
MMP10 P09238 1/20 0.50
ADAM17 P78536 1/20 0.50

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
SCHEMBL7303599 0.89 MMP1 (0.49) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304792 0.89 MMP1 (0.60) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308395 0.88 MMP1 (0.48) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304251 0.87 MMP1 (0.47) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308043 0.86 MMP1 (0.46) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7306362 0.78 MMP1 (0.49) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7305353 0.77 MMP1 (0.48) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7311124 0.77 MMP1 (0.41) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7298947 0.77 MMP1 (0.47) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7298907 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed