SCHEMBL6586078

SCHEMBL6586078

Cc1cc(C2=CCN(S(=O)(=O)C3(C(=O)O)CCCC3)CC2)ccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.64
MMP3 P08254 12/20 0.64
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HSD11B1 P28845 2/20 0.42
KMT2A Q03164 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL6583989 0.92 MMP2 (0.60) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6590191 0.90 MMP2 (0.63) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6584742 0.90 MMP2 (0.68) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6584009 0.83 MMP2 (0.64) MMP2MMP3L3MBTL1MMP14
SCHEMBL6586997 0.83 MMP2 (0.59) MMP2MMP3L3MBTL1PKM
SCHEMBL6584555 0.82 MMP2 (0.63) MMP2MMP3L3MBTL1HSD11B1MMP14
SCHEMBL6590197 0.82 MMP2 (0.59) MMP2MMP3L3MBTL1ALDH1A1PKM
SCHEMBL6584396 0.81 MMP2 (0.54) MMP2MMP3ALDH1A1
SCHEMBL6588431 0.80 MMP2 (0.66) MMP2MMP3L3MBTL1
SCHEMBL6584500 0.78 MMP2 (0.53) MMP2MMP3L3MBTL1ALDH1A1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed