SCHEMBL7901562

SCHEMBL7901562

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.71
MMP13 P45452 14/20 0.71
MMP3 P08254 9/20 0.71
MMP1 P03956 3/20 0.70
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
GALR3 O60755 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
MMP9 P14780 1/20 0.52

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
Pg-530742 SCHEMBL4382111 0.94 MMP2 (0.80) MMP2MMP13MMP3MMP1LMNA
SCHEMBL7903361 0.91 MMP2 (0.66) MMP2MMP13MMP3MMP1LMNA
SCHEMBL7513667 0.89 MMP13 (0.88) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7516039 0.87 MMP2 (0.88) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7446569 0.87 MMP2 (0.64) MMP2MMP13MMP3MMP1
SCHEMBL7892677 0.85 MMP2 (0.75) MMP2MMP13MMP3MMP1
SCHEMBL7451546 0.83 MMP2 (0.85) MMP2MMP13MMP3MMP1LMNA
SCHEMBL7455836 0.83 MMP2 (1.00) MMP2MMP13MMP3MMP1LMNA
SCHEMBL7509322 0.82 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7550988 0.82 MMP2 (0.67) MMP2MMP13MMP3MMP1MEN1

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