SCHEMBL7398293

SCHEMBL7398293

CC(=O)OS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.55
MMP2 P08253 5/20 0.55
FPR2 P25090 2/20 0.54
PROKR1 Q8TCW9 2/20 0.54
MMP12 P39900 1/20 0.52
LIPE Q05469 1/20 0.49
TEAD1 P28347 1/20 0.48
EPHX2 P34913 1/20 0.47
ADRB2 P07550 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7395651 0.87 MMP13 (0.53) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL6096681 0.82 FPR2 (0.61) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL6098249 0.80 FPR2 (0.56) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL2092945 0.79 LIPE (0.61) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL6096540 0.78 MMP13 (0.57) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL6112364 0.76 MMP13 (0.51) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL29716504 0.76 SMN1; SMN2 (0.61) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL6098206 0.75 MMP13 (0.60) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL23365220 0.75 EPHX2 (0.62) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL6097719 0.74 MMP13 (0.52) MMP13MMP2FPR2PROKR1MMP12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157021-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
WO-2000046221-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-10 WO disclosed