SCHEMBL7593703

SCHEMBL7593703

COC(=O)C(N)(CC#Cc1cccc(N2CCOCC2)c1)S(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.63
MMP2 P08253 7/20 0.63
MMP3 P08254 5/20 0.63
MMP1 P03956 4/20 0.63
KMT2A Q03164 3/20 0.41
MMP9 P14780 3/20 0.40
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
PTGS2 P35354 1/20 0.39
MMP8 P22894 1/20 0.39
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7572940 0.94 MMP2 (0.65) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7513743 0.91 MMP13 (0.61) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7450581 0.89 MMP2 (0.49) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7900078 0.84 MMP2 (0.62) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7502278 0.81 MMP13 (0.55) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7513672 0.80 MMP13 (0.59) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7451550 0.80 MMP2 (0.46) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7593698 0.77 MMP2 (0.88) MMP13MMP2MMP3MMP1KMT2A
SCHEMBL7572935 0.77 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7516820 0.76 MMP13 (0.54) MMP13MMP2MMP3MMP1MMP9

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