SCHEMBL7701550

SCHEMBL7701550

C#CCC(CCc1cccnc1)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.69
MMP1 P03956 8/20 0.69
MMP13 P45452 8/20 0.69
ADAM17 P78536 3/20 0.54
ALDH1A1 P00352 3/20 0.46
NAMPT P43490 1/20 0.45
TBXAS1 P24557 1/20 0.45
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
MMP2 P08253 1/20 0.44
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6932299 0.90 MMP9 (0.80) MMP9MMP1MMP13ADAM17ALDH1A1
Hydroxyamine SCHEMBL7555703 0.88 MMP9 (0.78) MMP9MMP1MMP13ADAM17ALDH1A1
SCHEMBL6932325 0.82 MMP9 (1.00) MMP9MMP1MMP13ADAM17ALDH1A1
SCHEMBL7899148 0.82 MMP9 (0.76) MMP9MMP1MMP13ADAM17ALDH1A1
SCHEMBL6931438 0.81 MMP9 (0.75) MMP9MMP1MMP13ADAM17ALDH1A1
SCHEMBL6932245 0.81 MMP9 (0.74) MMP9MMP1MMP13ADAM17KEAP1
SCHEMBL6934622 0.78 MMP13 (0.80) MMP9MMP1MMP13ADAM17ALDH1A1
SCHEMBL6935131 0.77 MMP9 (0.81) MMP9MMP1MMP13ADAM17ALDH1A1
SCHEMBL6935134 0.77 MMP9 (0.80) MMP9MMP1MMP13ADAM17ALDH1A1
Hydroxyamine SCHEMBL7557247 0.77 MMP13 (0.78) MMP9MMP1MMP13ADAM17ALDH1A1

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