SCHEMBL6972380

SCHEMBL6972380

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.50
USP5 P45974 8/20 0.41
HDAC6 Q9UBN7 3/20 0.40
CNR1 P21554 2/20 0.40
PTGDR Q13258 1/20 0.40
MMP2 P08253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL6434485 0.87 MMP3 (0.47) MMP3USP5HDAC6CNR1MMP2
SCHEMBL6433458 0.80 PDE4B (0.43) ALDH1A1
SCHEMBL6961774 0.80 PTGDR (0.39) MMP3USP5HDAC6PTGDRMMP2
SCHEMBL6966717 0.76 MAPT (0.36) MMP3USP5HDAC6PTGDRMMP2
SCHEMBL6966720 0.76 MAPT (0.36) MMP3USP5HDAC6PTGDRMMP2
SCHEMBL7204028 0.76 MAPT (0.38) MMP3USP5HDAC6PTGDRMMP2
SCHEMBL6966714 0.76 MAPT (0.36) MMP3USP5HDAC6PTGDRMMP2
SCHEMBL6437658 0.74 MMP2 (0.51) MMP3USP5MMP2MMP1MMP9
SCHEMBL7204026 0.74 KMT2A (0.38) MMP3PTGDRMMP2MMP1MMP9
SCHEMBL6435225 0.73 MMP3 (0.38) MMP3USP5MMP2MMP1MMP9

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