SCHEMBL6590241

SCHEMBL6590241

COC(=O)C1(S(=O)(=O)N2CCC(c3ccc(-c4cccc(OC)c4)c(C)c3)CC2)CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.51
MMP3 P08254 8/20 0.51
MMP1 P03956 3/20 0.51
MMP9 P14780 3/20 0.51
MMP14 P50281 2/20 0.51
USP5 P45974 1/20 0.40
MCHR1 Q99705 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
MMP13 P45452 1/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 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
SCHEMBL6587738 0.94 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586955 0.92 MMP2 (0.54) MMP2MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6582464 0.92 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586377 0.91 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6589939 0.90 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586632 0.86 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586370 0.85 MMP2 (0.56) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584479 0.85 MMP2 (0.56) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437373 0.85 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434838 0.85 MMP2 (0.49) 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 4 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
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed