SCHEMBL8364776

SCHEMBL8364776

COc1cccc(C(=O)NO)c1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.78
MMP13 P45452 7/20 0.78
FPR2 P25090 5/20 0.52
PROKR1 Q8TCW9 5/20 0.52
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.42

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
SCHEMBL8363036 0.87 MMP13 (0.64) MMP2MMP13FPR2PROKR1MEN1
SCHEMBL8364987 0.85 MMP13 (0.78) MMP2MMP13FPR2PROKR1TP53
SCHEMBL5898960 0.83 MMP13 (1.00) MMP2MMP13FPR2PROKR1TP53
SCHEMBL5898986 0.79 MMP13 (0.69) MMP2MMP13FPR2PROKR1MEN1
SCHEMBL5898962 0.78 MMP13 (0.72) MMP2MMP13FPR2PROKR1TP53
SCHEMBL8361681 0.78 MMP13 (0.78) MMP2MMP13FPR2PROKR1TP53
SCHEMBL8363040 0.78 MMP13 (0.75) MMP2MMP13FPR2PROKR1TP53
SCHEMBL5898984 0.77 MMP13 (1.00) MMP2MMP13FPR2PROKR1
SCHEMBL5898973 0.77 MMP13 (1.00) MMP2MMP13FPR2PROKR1TP53
SCHEMBL5898969 0.77 MMP13 (0.82) MMP2MMP13FPR2PROKR1TP53

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-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed