SCHEMBL6965353

SCHEMBL6965353

Cc1cc(C2=CCN(S(=O)(=O)C3(C(=O)O)CCOCC3)CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.46
MMP3 P08254 13/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
MMP14 P50281 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
MMP9 P14780 2/20 0.36
ADAM10 O14672 1/20 0.36
MMP1 P03956 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL6433272 0.90 MMP2 (0.44) MMP2MMP3L3MBTL1ABL1RIN1
SCHEMBL6963708 0.87 MMP2 (0.42) MMP2MMP3L3MBTL1MMP14ADAMTS5
SCHEMBL6583989 0.87 MMP2 (0.60) MMP2MMP3L3MBTL1MMP14ADAMTS5
SCHEMBL6584500 0.83 MMP2 (0.53) MMP2MMP3L3MBTL1MMP14ADAMTS5
SCHEMBL6584396 0.81 MMP2 (0.54) MMP2MMP3ADAM10ALDH1A1
SCHEMBL6584555 0.81 MMP2 (0.63) MMP2MMP3L3MBTL1MMP14MMP9
SCHEMBL6584009 0.80 MMP2 (0.64) MMP2MMP3L3MBTL1MMP14MMP9
SCHEMBL6586997 0.80 MMP2 (0.59) MMP2MMP3L3MBTL1MMP9ADAM10
SCHEMBL6588431 0.79 MMP2 (0.66) MMP2MMP3L3MBTL1MMP9ADAM10
SCHEMBL6586078 0.78 MMP2 (0.64) MMP2MMP3L3MBTL1MMP14ADAMTS5

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-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP claimed