SCHEMBL7550995

SCHEMBL7550995

COC(=O)C(N)(CC#CCN1CCOCC1)S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.44
MMP2 P08253 5/20 0.44
MMP3 P08254 5/20 0.44
MMP1 P03956 3/20 0.44
ALDH1A1 P00352 2/20 0.36
MMP9 P14780 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35

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
SCHEMBL7547380 0.91 MMP2 (0.41) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7446582 0.87 L3MBTL1 (0.47) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7513672 0.87 MMP13 (0.59) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7509695 0.86 MMP2 (0.58) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7451550 0.83 MMP2 (0.46) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7509339 0.79 MMP13 (0.61) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7450581 0.79 MMP2 (0.49) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7508581 0.79 MMP13 (0.53) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7595438 0.78 MMP13 (0.57) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7899844 0.77 MMP2 (0.59) MMP13MMP2MMP3MMP1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed