SCHEMBL4249034

SCHEMBL4249034

COc1ccc(CC(N)(C(=O)O)S(=O)(=O)c2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.47
MMP13 P45452 11/20 0.47
MMP1 P03956 11/20 0.47
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL7378971 0.76 MMP13 (0.49) MMP9MMP13MMP1HTTMMP2
SCHEMBL8559637 0.75 MMP13 (0.72) MMP9MMP13MMP1MMP2MMP3
SCHEMBL7372083 0.74 CA12 (0.54) MMP13MMP1LMNATSHRSMN1; SMN2
SCHEMBL7516170 0.74 GAA (0.49) MMP9MMP13MMP1HTTCA12
SCHEMBL2761358 0.73 HTT (0.55) MMP9MMP13MMP1HTTMMP2
SCHEMBL6932195 0.71 MMP13 (0.63) MMP9MMP13MMP1MMP2MMP3
Ethylamine SCHEMBL7956386 0.71 MMP13 (0.57) MMP9MMP13MMP1CA12CA1
SCHEMBL2518753 0.71 CA12 (0.41) MMP9MMP13MMP1PPARATSHR
SCHEMBL28026557 0.71 SMN1; SMN2 (0.49) MMP9MMP13MMP1LMNASMN1; SMN2
SCHEMBL28026558 0.71 SMN1; SMN2 (0.49) MMP9MMP13MMP1LMNASMN1; SMN2

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
EP-2085379-A1 Arylsulfonamido-substituted hydroxamic acid derivatives Novartis AG (CH) 2009-08-05 EP disclosed