SCHEMBL7702807

SCHEMBL7702807

CCCCCC#CCC(Cc1cccnc1)(C(=O)ON)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.61
MMP13 P45452 9/20 0.61
MMP1 P03956 8/20 0.61
ADAM17 P78536 3/20 0.61
NAMPT P43490 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TBXAS1 P24557 1/20 0.39
MMP2 P08253 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
PKM P14618 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6934187 0.91 MMP9 (0.61) MMP9MMP13MMP1ADAM17NAMPT
Hydroxyamine SCHEMBL7702805 0.91 MMP9 (0.62) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL6930534 0.91 MMP9 (0.64) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL6930135 0.88 MMP9 (0.77) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7658073 0.87 MMP9 (0.77) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7557253 0.87 MMP13 (0.76) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7899148 0.85 MMP9 (0.76) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL6932872 0.81 MMP1 (0.49) MMP9MMP13MMP1ADAM17NAMPT
Hydroxyamine SCHEMBL7551667 0.80 MMP1 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL6929990 0.80 MMP1 (0.50) MMP9MMP13MMP1ADAM17NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342508-B1 ENZYME INHIBITORS FOR PROTECTION OF CONNECTIVE TISSUES AMERICAN CYANAMID COMPANY 2002-01-29 US disclosed