SCHEMBL7017112

SCHEMBL7017112

CC(=O)C(C1CCOCC1)S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
TP53 P04637 1/20 0.41
USP5 P45974 4/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CCR1 P32246 8/20 0.39
DRD2 P14416 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
BCL2A1 Q16548 1/20 0.38
USP3 Q9Y6I4 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7015188 0.89 USP5 (0.41) USP5SMN1; SMN2CCR1
SCHEMBL7020098 0.77 MMP1 (0.53) KMT2A
SCHEMBL7019742 0.75 USP5 (0.40) MMP2MMP9MMP13TP53USP5
SCHEMBL942107 0.70 MMP3 (0.45) MMP2MMP9MMP13TP53USP5
SCHEMBL942579 0.70 TP53 (0.56) TP53USP5ALDH1A1DRD2
SCHEMBL22581743 0.70 TP53 (0.59) TP53USP5ALDH1A1CCR1DRD2
SCHEMBL21714588 0.69 L3MBTL1 (0.53) MMP2MMP9MMP13TP53USP5
SCHEMBL23130956 0.69 USP5 (0.41) MMP2MMP9MMP13TP53USP5
SCHEMBL21714624 0.68 MMP2 (0.43) MMP2MMP9MMP13TP53USP5
SCHEMBL25247362 0.68 HTR3A (0.48) MMP2MMP9MMP13TP53ALDH1A1

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-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed