SCHEMBL7946779

SCHEMBL7946779

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
MMP3 P08254 1/20 0.35
ECE1 P42892 1/20 0.33
POLB P06746 1/20 0.33
ADAM17 P78536 2/20 0.33
CA5A P35218 1/20 0.33
BACE1 P56817 2/20 0.32
CTSK P43235 3/20 0.32
CTSL P07711 2/20 0.32
CA1 P00915 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
FPR2 P25090 1/20 0.31

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
SCHEMBL7946782 1.00 MMP1 (0.36) MMP1MMP13MMP3ECE1POLB
SCHEMBL7960477 0.91 MMP1 (0.38) MMP1MMP13MMP3ECE1ADAM17
SCHEMBL7957224 0.91 MMP1 (0.38) MMP1MMP13MMP3ECE1ADAM17
SCHEMBL7960470 0.91 MMP1 (0.38) MMP1MMP13MMP3ECE1ADAM17
SCHEMBL7846148 0.90 MMP1 (0.41) MMP1MMP13MMP3POLBADAM17
SCHEMBL7846151 0.90 MMP1 (0.41) MMP1MMP13MMP3POLBADAM17
SCHEMBL7957364 0.90 MMP1 (0.39) MMP1MMP13MMP3ECE1CTSK
SCHEMBL7827988 0.90 MMP1 (0.39) MMP1MMP13MMP3ECE1CTSK
SCHEMBL7848201 0.87 L3MBTL1 (0.36) MMP1MMP13MMP3POLBBACE1
SCHEMBL7946539 0.83 MMP1 (0.41) MMP1MMP13ADAM17

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