SCHEMBL6587846

SCHEMBL6587846

CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)OC)CC3)cc2C)c1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.83
MMP3 P08254 10/20 0.83
MMP1 P03956 2/20 0.71
MMP9 P14780 2/20 0.71
MMP14 P50281 2/20 0.71
DHODH Q02127 1/20 0.40
CHRM3 P20309 1/20 0.38
MMP13 P45452 1/20 0.38
USP5 P45974 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CTPS1 P17812 1/20 0.35
PTGS2 P35354 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
SCHEMBL6440700 0.92 MMP2 (0.71) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586333 0.92 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588374 0.91 MMP2 (0.70) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7408826 0.91 MMP2 (0.82) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434351 0.91 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6436990 0.91 MMP3 (0.69) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6585076 0.91 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437562 0.90 MMP2 (0.84) MMP2MMP3MMP1MMP9MMP14
Dimethylamine SCHEMBL6437006 0.90 MMP2 (0.80) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6432618 0.90 MMP2 (0.67) 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 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