SCHEMBL7513672

SCHEMBL7513672

COC(=O)C(N)(CC#CCN1CCOCC1)S(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.59
MMP2 P08253 12/20 0.59
MMP3 P08254 7/20 0.59
MMP1 P03956 5/20 0.59
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP8 P22894 2/20 0.44
MMP12 P39900 1/20 0.44
MMP9 P14780 2/20 0.44
MMP7 P09237 1/20 0.42
BMP1 P13497 1/20 0.42
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7509339 0.92 MMP13 (0.61) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7595438 0.91 MMP13 (0.57) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7509695 0.89 MMP2 (0.58) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7550995 0.87 MMP13 (0.44) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7516046 0.85 MMP13 (0.48) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7446582 0.85 L3MBTL1 (0.47) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7513743 0.84 MMP13 (0.61) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7901571 0.83 MMP13 (0.59) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7508581 0.82 MMP13 (0.53) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7506693 0.82 MMP2 (0.51) MMP13MMP2MMP3MMP1ALDH1A1

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