SCHEMBL7825682

SCHEMBL7825682

CCCCCCCC(C)NC(=O)CCc1cc(C)c(NCS(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.43
MMP2 P08253 4/20 0.43
MMP3 P08254 3/20 0.43
MMP13 P45452 10/20 0.42
MMP9 P14780 10/20 0.42
ADAM17 P78536 5/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MMP12 P39900 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7322130 0.87 MMP13 (0.47) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7453357 0.84 MMP13 (0.57) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7820004 0.84 TAS1R3 (0.43) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7825679 0.83 MMP13 (0.44) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7318219 0.78 MMP13 (0.56) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7323850 0.78 PLK1 (0.46) MMP1MMP13MMP9ADAM17ALDH1A1
SCHEMBL7315984 0.76 MMP13 (0.42) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7322284 0.75 MMP13 (0.52) MMP1MMP2MMP3MMP13MMP9
SCHEMBL6815791 0.74 MMP13 (0.60) MMP1MMP2MMP13MMP9ADAM17
SCHEMBL7576696 0.74 BCHE (0.43) MMP1MMP2MMP3MMP13MMP9

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
EP-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP claimed