SCHEMBL6587767

SCHEMBL6587767

CCOc1cncc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.79
MMP3 P08254 8/20 0.79
MMP1 P03956 2/20 0.68
MMP9 P14780 2/20 0.68
MMP14 P50281 2/20 0.68
CTPS1 P17812 6/20 0.40
RIPK2 O43353 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL6590101 0.91 MMP2 (0.65) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587030 0.91 MMP2 (0.65) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6585076 0.88 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
Dimethylamine SCHEMBL6974207 0.87 MMP3 (0.97) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6585851 0.81 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584994 0.80 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586804 0.80 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6973528 0.80 MMP3 (1.00) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586134 0.79 MMP3 (0.83) MMP2MMP3MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6971643 0.79 MMP3 (0.98) 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