SCHEMBL7446569

SCHEMBL7446569

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.64
MMP13 P45452 12/20 0.64
MMP3 P08254 5/20 0.64
MMP1 P03956 2/20 0.64
MAPT P10636 1/20 0.52
CYP3A4 P08684 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL7550988 0.87 MMP2 (0.67) MMP2MMP13MMP3MMP1
SCHEMBL7901562 0.87 MMP2 (0.71) MMP2MMP13MMP3MMP1
SCHEMBL7513667 0.85 MMP13 (0.88) MMP2MMP13MMP3MMP1
SCHEMBL7903361 0.83 MMP2 (0.66) MMP2MMP13MMP3MMP1MAPT
SCHEMBL7516039 0.83 MMP2 (0.88) MMP2MMP13MMP3MMP1
SCHEMBL7509690 0.83 MMP2 (0.86) MMP2MMP13MMP3MMP1
Pg-530742 SCHEMBL4382111 0.81 MMP2 (0.80) MMP2MMP13MMP3MMP1
SCHEMBL7547376 0.78 MMP2 (0.66) MMP2MMP13MMP3MMP1
SCHEMBL7509322 0.78 MMP13 (1.00) MMP2MMP13MMP3MMP1
SCHEMBL7508577 0.77 MMP2 (0.82) MMP2MMP13MMP3MMP1

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