SCHEMBL7423274

SCHEMBL7423274

COc1ccc(S(=O)(=O)N2CC=CCC(N)C2C(=O)OC(C)(C)C)cc1.COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)CCc3ccccc3)C2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.40
MMP1 P03956 10/20 0.40
MMP3 P08254 10/20 0.40
MMP2 P08253 9/20 0.40
MMP13 P45452 5/20 0.40
MMP8 P22894 5/20 0.40
MMP7 P09237 5/20 0.40
ADAM17 P78536 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP12 P39900 1/20 0.38
FKBP1A P62942 1/20 0.37

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
SCHEMBL6075809 0.95 MMP9 (0.43) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6075862 0.86 L3MBTL1 (0.47) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6075285 0.84 MMP3 (0.46) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6075466 0.83 PKM (0.47) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6076121 0.83 MMP3 (0.46) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6075926 0.82 CHRM5 (0.44) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6075460 0.81 MMP1 (0.43) MMP9MMP1MMP3MMP2MMP13
SCHEMBL7420859 0.79 MMP3 (0.41) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6075725 0.79 PKM (0.52) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6076055 0.76 MMP1 (0.47) MMP9MMP1MMP3MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042297-A1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS Amgen Inc. (US) 2000-10-11 EP disclosed
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
WO-1999032452-A1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC. (US) 1999-07-01 WO disclosed