SCHEMBL6959536

SCHEMBL6959536

CCOC(COc1cccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(=O)O)CCOC(C)C4)CC3)cc2C)c1)OCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.51
MMP3 P08254 9/20 0.51
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP14 P50281 2/20 0.47
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ALDH1A1 P00352 2/20 0.31
USP5 P45974 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL6973195 0.92 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6960736 0.88 MMP3 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6970701 0.88 MMP2 (0.60) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434175 0.86 MMP2 (0.54) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6964791 0.84 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437467 0.81 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433679 0.81 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433156 0.81 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6959909 0.79 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6971910 0.79 MMP2 (0.63) MMP2MMP3MMP1MMP9MMP14

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