SCHEMBL7209957

SCHEMBL7209957

NOC(=O)C1(O)CNCCC1S(=O)(=O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.41
MMP1 P03956 1/20 0.39
CHRM1 P11229 7/20 0.37
CHRM3 P20309 4/20 0.37
RORC P51449 1/20 0.36
PTGS2 P35354 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 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
Hydroxyamine SCHEMBL7209949 0.88 MMP13 (0.42) MMP13MMP1CHRM1CHRM3RORC
SCHEMBL7290264 0.85 MMP13 (0.55) MMP13MMP1CHRM1CHRM3RORC
SCHEMBL7209955 0.82 KAT6A (0.35) MMP13MMP1CHRM1CHRM3RORC
SCHEMBL7204063 0.73 MMP13 (0.53) MMP13MMP1MMP2MMP9
SCHEMBL7202562 0.73 MMP13 (0.55) MMP13MMP1CA1CA2MMP2
SCHEMBL7205953 0.73 MMP13 (0.71) MMP13MMP1MMP2MMP9MMP8
SCHEMBL7199642 0.73 MMP13 (0.57) MMP13MMP1MMP2MMP9MMP8
SCHEMBL7201763 0.73 MMP13 (0.55) MMP13MMP1MMP2MMP9
SCHEMBL7201008 0.72 MMP13 (0.54) MMP13MMP1MMP2MMP9MMP8
SCHEMBL7290273 0.71 MGLL (0.41) MMP13MMP1RORCCA1CA2

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-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US disclosed