SCHEMBL7420859

SCHEMBL7420859

COc1ccc(S(=O)(=O)N2CC=CCC(NS(=O)(=O)Cc3ccccc3)C2C(=O)O)cc1.COc1ccc(S(=O)(=O)N2CC=CCC(NS(=O)(=O)Cc3ccccc3)C2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.41
MMP1 P03956 14/20 0.41
MMP9 P14780 13/20 0.41
MMP2 P08253 9/20 0.41
MMP8 P22894 5/20 0.41
MMP7 P09237 7/20 0.41
MMP13 P45452 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6075460 0.98 MMP1 (0.43) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6075492 0.93 MMP1 (0.45) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6075584 0.85 ALDH1A1 (0.42) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6075466 0.83 PKM (0.47) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6076121 0.83 MMP3 (0.46) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6075809 0.83 MMP9 (0.43) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6075926 0.82 CHRM5 (0.44) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6075423 0.80 MMP1 (0.45) MMP3MMP1MMP9MMP2MMP8
SCHEMBL6076042 0.80 CA12 (0.53) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7423274 0.79 MMP9 (0.40) MMP3MMP1MMP9MMP2MMP8

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-1040099-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Amgen Inc., (US) 2000-10-04 EP disclosed
WO-1999032451-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AMGEN INC. (US) 1999-07-01 WO disclosed