SCHEMBL6583780

SCHEMBL6583780

COc1cccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(=O)NO)Cc5ccccc5C4)CC3)cc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.54
MMP3 P08254 12/20 0.54
MMP9 P14780 4/20 0.53
MMP1 P03956 3/20 0.53
MMP14 P50281 3/20 0.53
MMP13 P45452 4/20 0.40
USP5 P45974 1/20 0.39
MCHR1 Q99705 1/20 0.37
ADAM17 P78536 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6589939 0.92 MMP2 (0.51) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6584427 0.91 MMP2 (0.50) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6586370 0.91 MMP2 (0.56) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6584479 0.91 MMP2 (0.56) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6586955 0.90 MMP2 (0.54) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6433864 0.89 MMP2 (0.55) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6433872 0.89 MMP2 (0.55) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6433867 0.89 MMP2 (0.55) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6585463 0.88 MMP2 (0.53) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6438592 0.86 MMP2 (0.51) MMP2MMP3MMP9MMP1MMP14

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