SCHEMBL6952033

SCHEMBL6952033

COC(=O)C(CBr)CCCN1C(=O)N(C)C(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.40
MMP2 P08253 10/20 0.40
MMP13 P45452 9/20 0.40
MMP9 P14780 8/20 0.40
PLA2G7 Q13093 2/20 0.37
MMP1 P03956 10/20 0.36
MMP7 P09237 2/20 0.36
MMP14 P50281 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADAM17 P78536 3/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
MMP8 P22894 5/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7221727 0.87 MMP2 (0.37) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL6946388 0.85 MMP2 (0.40) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL6945448 0.84 MMP2 (0.39) MMP3MMP2MMP13MMP9PLA2G7
Hydrochloric Acid SCHEMBL7425983 0.83 MMP2 (0.38) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL6946612 0.83 MMP3 (0.38) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL7078769 0.79 MMP2 (0.36) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL6949966 0.74 PLA2G7 (0.44) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL7078766 0.73 MMP2 (0.36) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL6948972 0.71 PLA2G7 (0.52) MMP3MMP2MMP13MMP9PLA2G7
SCHEMBL6952582 0.71 MMP2 (0.38) MMP3MMP2MMP13MMP9PLA2G7

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-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed