SCHEMBL14040504

SCHEMBL14040504

O=C1[C@H](NS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.57
MMP9 P14780 10/20 0.57
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
F10 P00742 5/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP13 P45452 2/20 0.42
MMP7 P09237 1/20 0.42
ADAMTS4 O75173 1/20 0.42
ADAM17 P78536 1/20 0.42
ADAMTS1 Q9UHI8 1/20 0.42
ADAMTS7 Q9UKP4 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
PTGDR Q13258 1/20 0.42
KIF11 P52732 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL4703218 1.00 MMP2 (0.57) MMP2MMP9FPR1FPR2F10
SCHEMBL4700891 0.90 MMP2 (0.72) MMP2MMP9F10MMP3MMP13
SCHEMBL4700893 0.90 MMP2 (0.72) MMP2MMP9F10MMP3MMP13
SCHEMBL14040628 0.86 MMP2 (0.53) MMP2MMP9F10MMP3MMP13
SCHEMBL4701825 0.85 F10 (0.54) MMP2MMP9F10MMP1MMP3
SCHEMBL3109584 0.83 MMP2 (0.74) MMP2MMP9F10MMP3MMP13
SCHEMBL3109580 0.83 MMP2 (0.74) MMP2MMP9F10MMP3MMP13
SCHEMBL4702649 0.81 MMP2 (0.58) MMP2MMP9MMP3MMP13
SCHEMBL4702643 0.81 MMP2 (0.58) MMP2MMP9MMP3MMP13
SCHEMBL14604436 0.77 F10 (0.71) F10

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-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed