SCHEMBL7572940

SCHEMBL7572940

COc1ccc(-c2ccc(S(=O)(=O)C(N)(CC#Cc3cccc(N4CCOCC4)c3)C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.65
MMP13 P45452 7/20 0.65
MMP3 P08254 5/20 0.65
MMP1 P03956 3/20 0.65
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
FAAH O00519 1/20 0.40
MMP9 P14780 2/20 0.40
PTGS2 P35354 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL7593703 0.94 MMP13 (0.63) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7900078 0.91 MMP2 (0.62) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7513743 0.84 MMP13 (0.61) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7516820 0.83 MMP13 (0.54) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7450581 0.82 MMP2 (0.49) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7509339 0.80 MMP13 (0.61) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7572935 0.79 MMP2 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7593698 0.77 MMP2 (0.88) MMP2MMP13MMP3MMP1KMT2A
SCHEMBL7516549 0.77 MMP1 (0.49) MMP2MMP13MMP3MMP1ALDH1A1
SCHEMBL7502278 0.75 MMP13 (0.55) MMP2MMP13MMP3MMP1ALDH1A1

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