SCHEMBL7751801

SCHEMBL7751801

COc1cccc(CN2CCC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(C(N)=O)CC2O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.47
MMP9 P14780 3/20 0.47
MMP13 P45452 3/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
ADAM17 P78536 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR1 O14842 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PKM P14618 2/20 0.38
OPRM1 P35372 1/20 0.38
HSD11B1 P28845 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL6791022 0.78 MMP1 (0.71) MMP1MMP9MMP13MMP2MMP3
SCHEMBL6790632 0.67 MEN1 (0.53) MMP1MMP9MMP13MMP2MMP3
SCHEMBL6787427 0.67 MMP1 (0.81) MMP1MMP9MMP13MMP2MMP3
SCHEMBL8072826 0.66 MMP2 (0.44) MMP1MMP9MMP13MMP2MMP3
Hydroxyamine SCHEMBL7552361 0.65 MMP1 (0.77) MMP1MMP9MMP13ADAM17SIGMAR1
SCHEMBL6785762 0.65 MMP1 (0.73) MMP1MMP9MMP13MMP2MMP3
SCHEMBL13422580 0.64 FAAH (0.61) MMP1MMP9MMP13ADAM17L3MBTL1
SCHEMBL6565426 0.64 MMP1 (0.80) MMP1MMP9MMP13ADAM17SIGMAR1
SCHEMBL6789202 0.64 MMP13 (1.00) MMP1MMP9MMP13MMP2MMP3
SCHEMBL4020238 0.63 OPRM1 (0.47) MEN1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983257-A4 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMIC ACID COMPOUNDS MONSANTO CO (US) 2001-05-02 EP disclosed
EP-0983257-A1 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMIC ACID COMPOUNDS Monsanto Company (US) 2000-03-08 EP disclosed
WO-1998039315-A1 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed