SCHEMBL6965123

SCHEMBL6965123

Cc1cc(C2CCN(S(=O)(=O)C3(OC(=O)O)CCOCC3)CC2)ccc1-c1cccc(OCCOC(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.55
MMP3 P08254 7/20 0.55
MMP1 P03956 2/20 0.55
MMP9 P14780 2/20 0.55
MMP14 P50281 2/20 0.55
ADAM10 O14672 1/20 0.32
FASN P49327 6/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
PDE10A Q9Y233 1/20 0.30
GLP1R P43220 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
SCHEMBL6434450 0.92 MMP2 (0.56) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6964801 0.92 MMP2 (0.62) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433952 0.89 MMP2 (0.57) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434543 0.88 MMP2 (0.60) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6959875 0.84 MMP2 (0.61) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436938 0.83 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6967339 0.83 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6435284 0.83 MMP2 (0.63) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433879 0.81 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6439579 0.81 MMP2 (0.62) 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