SCHEMBL7960477

SCHEMBL7960477

CC(C)C[C@@H](C(=O)NN1C(=O)NC2(CCN(C)CC2)C1=O)[C@H](CCCc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP13 P45452 1/20 0.38
ECE1 P42892 1/20 0.34
MMP3 P08254 3/20 0.34
BACE1 P56817 1/20 0.34
FPR2 P25090 2/20 0.33
CTSK P43235 2/20 0.33
BDKRB2 P30411 1/20 0.33
APP P05067 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADAM17 P78536 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL7957224 1.00 MMP1 (0.38) MMP1MMP13ECE1MMP3BACE1
SCHEMBL7960470 1.00 MMP1 (0.38) MMP1MMP13ECE1MMP3BACE1
SCHEMBL7957364 0.93 MMP1 (0.39) MMP1MMP13ECE1MMP3FPR2
SCHEMBL7827988 0.93 MMP1 (0.39) MMP1MMP13ECE1MMP3FPR2
SCHEMBL7946782 0.91 MMP1 (0.36) MMP1MMP13ECE1MMP3BACE1
SCHEMBL7946779 0.91 MMP1 (0.36) MMP1MMP13ECE1MMP3BACE1
SCHEMBL7848201 0.90 L3MBTL1 (0.36) MMP1MMP13MMP3BACE1CTSK
SCHEMBL7946527 0.89 MMP1 (0.43) MMP1MMP13MMP3APPADAM17
SCHEMBL7946524 0.89 MMP1 (0.43) MMP1MMP13MMP3APPADAM17
SCHEMBL7838763 0.86 MMP3 (0.36) MMP1MMP13MMP3FPR2L3MBTL1

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