SCHEMBL7303606

SCHEMBL7303606

O=C(O)C1(CSc2ccc(Oc3ccc(F)cc3)cc2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.43
MMP13 P45452 7/20 0.43
MMP14 P50281 4/20 0.43
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP12 P39900 1/20 0.43
ALDH1A1 P00352 2/20 0.42
EGLN2 Q96KS0 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
FKBP1A P62942 1/20 0.38
ABCB11 O95342 1/20 0.38
MMP7 P09237 1/20 0.38
MMP10 P09238 1/20 0.38
ADAM17 P78536 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7305973 0.88 MEN1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL2409029 0.88 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304697 0.87 MMP1 (0.54) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6995243 0.80 MMP1 (0.46) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7313882 0.78 MMP1 (0.55) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6266578 0.76 ADAM17 (0.43) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7312678 0.75 MMP1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304591 0.75 MMP1 (0.64) MMP1MMP13MMP14MMP2MMP3
SCHEMBL27463203 0.75 MMP1 (0.41) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308927 0.75 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3

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