SCHEMBL7898480

SCHEMBL7898480

COCC#CCC(NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 1.00
MMP13 P45452 12/20 1.00
MMP3 P08254 10/20 1.00
MMP1 P03956 3/20 0.76
MMP9 P14780 5/20 0.54
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7450983 0.90 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7452549 0.90 MMP2 (0.82) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7503190 0.87 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7455660 0.84 MMP13 (0.73) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7451546 0.82 MMP2 (0.85) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7454871 0.81 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7455836 0.81 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7892635 0.78 MMP2 (1.00) MMP2MMP13MMP3MMP1LMNA
SCHEMBL7451531 0.77 MMP13 (0.80) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4327772 0.76 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9

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-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed