SCHEMBL7974062

SCHEMBL7974062

CN1C(=O)N(C(CCC(CBr)C(=O)O)C(C)(C)C)C(=O)C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.31
MMP9 P14780 4/20 0.31
MMP3 P08254 3/20 0.31
MMP1 P03956 3/20 0.31
MMP13 P45452 3/20 0.31
MMP7 P09237 1/20 0.31
MMP14 P50281 1/20 0.31
MMP8 P22894 1/20 0.30

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
SCHEMBL7566608 0.67 HPGD (0.36) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7077739 0.66 CYP1A2 (0.34) MMP2MMP9MMP3MMP13
SCHEMBL7221727 0.65 MMP2 (0.37) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7454548 0.63 MMP1 (0.32) MMP2MMP9MMP3MMP1MMP13
SCHEMBL4818302 0.62 PLA2G7 (0.43) MMP2MMP9MMP3MMP1MMP13
SCHEMBL4822556 0.62 PLA2G7 (0.43) MMP2MMP9MMP3MMP1MMP13
SCHEMBL4818312 0.62 PLA2G7 (0.43) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7078773 0.62
SCHEMBL6952582 0.62 MMP2 (0.38) MMP2MMP9MMP3MMP1MMP13
SCHEMBL6947897 0.61 CPB2 (0.48) MMP2MMP9MMP3MMP1MMP13

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
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed