SCHEMBL6961774

SCHEMBL6961774

Cc1cc(C2CCN(S(=O)(=O)C(C)C(=O)O)CC2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
USP5 P45974 5/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
MMP3 P08254 5/20 0.37
MMP2 P08253 4/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
QDPR P09417 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6972380 0.80 MMP3 (0.50) PTGDRUSP5MMP3MMP2MMP1
SCHEMBL6433458 0.79 PDE4B (0.43) TLR8TLR7KMT2AMEN1ALDH1A1
SCHEMBL7204028 0.75 MAPT (0.38) PTGDRUSP5MMP3MMP2KMT2A
SCHEMBL6966720 0.75 MAPT (0.36) PTGDRUSP5MMP3MMP2KMT2A
SCHEMBL6966717 0.75 MAPT (0.36) PTGDRUSP5MMP3MMP2KMT2A
SCHEMBL6966714 0.75 MAPT (0.36) PTGDRUSP5MMP3MMP2KMT2A
SCHEMBL7204026 0.75 KMT2A (0.38) PTGDRMMP3MMP2KMT2AMAPT
SCHEMBL6434485 0.74 MMP3 (0.47) USP5MMP3MMP2KMT2AMAPT
SCHEMBL6437658 0.74 MMP2 (0.51) USP5MMP3MMP2KMT2AMAPT
SCHEMBL6435225 0.72 MMP3 (0.38) USP5MMP3MMP2KMT2AMAPT

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