SCHEMBL6960751

SCHEMBL6960751

COCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)n1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.87
MMP3 P08254 7/20 0.87
MMP1 P03956 2/20 0.87
MMP9 P14780 2/20 0.87
MMP14 P50281 2/20 0.87
GUCY1A1 Q02108 3/20 0.37
GUCY1B1 Q02153 3/20 0.37
FASN P49327 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
TLR9 Q9NR96 1/20 0.33
USP5 P45974 3/20 0.33
CNR1 P21554 1/20 0.33
SCN9A Q15858 1/20 0.33
SYK P43405 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6965286 0.93 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584994 0.91 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6435131 0.91 MMP2 (0.72) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436932 0.91 MMP2 (0.71) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6435723 0.86 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586804 0.84 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6972569 0.84 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586527 0.84 MMP2 (0.71) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433680 0.83 MMP2 (0.82) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588355 0.82 MMP2 (0.70) 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