SCHEMBL7033779

SCHEMBL7033779

COc1ccc(S(=O)(=O)N2CC=CCC(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2OC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.44
MMP9 P14780 10/20 0.44
MMP8 P22894 7/20 0.44
MMP13 P45452 6/20 0.44
MMP2 P08253 6/20 0.44
CA2 P00918 2/20 0.43
MMP3 P08254 8/20 0.42
MMP7 P09237 4/20 0.42
PTPN1 P18031 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 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
SCHEMBL6075423 0.89 MMP1 (0.45) MMP1MMP9MMP8MMP13MMP2
SCHEMBL6075492 0.75 MMP1 (0.45) MMP1MMP9MMP8MMP13MMP2
SCHEMBL7036112 0.74 MMP1 (0.46) MMP1MMP9MMP8MMP13MMP2
SCHEMBL7027257 0.72 MMP1 (0.53) MMP1MMP9MMP8MMP13MMP2
SCHEMBL6075460 0.71 MMP1 (0.43) MMP1MMP9MMP8MMP13MMP2
SCHEMBL7031074 0.70 SMN1; SMN2 (0.50) MMP1MMP9MMP8MMP13MMP2
SCHEMBL7028577 0.70 HCRTR1 (0.46) MMP1MMP9MMP8MMP13MMP2
SCHEMBL6075584 0.70 ALDH1A1 (0.42) MMP1MMP9MMP8MMP13MMP2
SCHEMBL7420859 0.69 MMP3 (0.41) MMP1MMP9MMP8MMP13MMP2
SCHEMBL6076042 0.69 CA12 (0.53) MMP1MMP9MMP13MMP2CA2

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-1042297-B1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC (US) 2003-02-26 EP claimed