SCHEMBL7953804

SCHEMBL7953804

CC(C)CC(C(=O)Nn1c(=O)[nH]c(=O)[nH]c1=O)[C@@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.37
REN P00797 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP8 P22894 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7953806 1.00 MMP1 (0.41) MMP1MMP3MMP9MMP13REN
SCHEMBL7845187 0.88 L3MBTL1 (0.41) MMP1MMP3MMP9
SCHEMBL7845190 0.88 L3MBTL1 (0.41) MMP1MMP3MMP9
SCHEMBL7847971 0.86 HPGD (0.47) MMP1MMP3MMP9POLBMAPT
SCHEMBL7955742 0.85 MMP1 (0.49) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7955739 0.85 MMP1 (0.49) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7946725 0.83 MMP1 (0.42) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7946723 0.83 MMP1 (0.42) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7827850 0.81 MMP1 (0.46) MMP1MMP3MMP9MMP13REN
SCHEMBL7853162 0.81 MMP1 (0.46) MMP1MMP3MMP9MMP13REN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed