SCHEMBL7454044

SCHEMBL7454044

C#Cc1cc(-c2ccc(OC)cc2)ccc1S(=O)(=O)C(N)(CC#CCN1CCOCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.49
MMP13 P45452 11/20 0.49
MMP3 P08254 5/20 0.49
MMP1 P03956 3/20 0.49
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7516046 0.94 MMP13 (0.48) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7509339 0.85 MMP13 (0.61) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7898403 0.81 MMP2 (0.45) MMP2MMP13MMP3MMP1KDM4E
SCHEMBL7507252 0.81 MMP13 (0.43) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7454038 0.79 MMP13 (0.74) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7513672 0.78 MMP13 (0.59) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7516045 0.77 MMP13 (0.65) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7901571 0.76 MMP13 (0.59) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7452794 0.76 MMP1 (0.41) MMP2MMP13MMP3MMP1MMP8
SCHEMBL7506693 0.75 MMP2 (0.51) MMP2MMP13MMP3MMP1MMP8

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 4 patents. 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 claimed
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