SCHEMBL6774290

SCHEMBL6774290

CCCCCN(CC(C)SC(C)=O)S(=O)(=O)c1ccc(OCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.56
MMP1 P03956 3/20 0.45
MMP2 P08253 2/20 0.45
MMP13 P45452 2/20 0.45
MMP14 P50281 2/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 1/20 0.43
CA7 P43166 1/20 0.43
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 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
SCHEMBL6325045 0.87 MMP3 (0.48) MMP3MMP1MMP13MMP9LMNA
SCHEMBL6321722 0.86 MMP3 (0.49) MMP3MMP1MMP13MMP9LMNA
SCHEMBL6330949 0.85 MMP3 (0.51) MMP3LMNACA12CA1CA2
SCHEMBL6324386 0.83 MMP3 (0.60) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6322271 0.82 MMP3 (0.59) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6400652 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6400321 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6774286 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP13MMP14
SCHEMBL6324383 0.72 MMP3 (0.50) MMP3MMP1MMP2MMP13MMP14
SCHEMBL7341391 0.72 MMP3 (1.00) MMP3MMP1MMP2MMP13MMP14

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
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed