SCHEMBL2413992

SCHEMBL2413992

CC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(N)=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
EEF2K O00418 3/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
MMP10 P09238 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 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
SCHEMBL2407247 0.80 EEF2K (0.55) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2413093 0.75 MMP7 (0.52) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2412670 0.75 MMP7 (0.52) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2406492 0.73 EEF2K (0.49) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2412284 0.71 CYP3A4 (0.53) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2407249 0.71 CYP3A4 (0.53) MMP7MMP9MMP13MMP1MMP2
SCHEMBL1447588 0.71 KDM4E (0.53) CYP2C19MAPTHTTTSHRALDH1A1
SCHEMBL12377249 0.70 CA1 (0.61) MMP7MMP9MMP13MMP1MMP2
SCHEMBL14162932 0.68 TRPA1 (0.57) CA2CA1CYP3A4CYP2C9GAA
SCHEMBL968120 0.68 HDAC3 (0.54) MMP7MMP9MMP13MMP1MMP2

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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed