SCHEMBL7955084

SCHEMBL7955084

CC(C)CC(C(=O)NN1CC(=O)NC1=O)[C@@H](CCCC1CCCCC1)C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.41
MMP3 P08254 7/20 0.41
MMP2 P08253 5/20 0.38
MMP8 P22894 3/20 0.38
MMP7 P09237 1/20 0.38
APP P05067 1/20 0.37
BMP1 P13497 9/20 0.35
MMP9 P14780 2/20 0.34
BCHE P06276 1/20 0.34
MMP14 P50281 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL7840534 1.00 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7838011 0.84 BMP1 (0.34) MMP1MMP3MMP2BMP1
SCHEMBL7828238 0.82 MMP1 (0.44) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7843485 0.81 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7843490 0.81 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL6221572 0.80 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL6221567 0.80 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7839515 0.78 MMP1 (0.47) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7955133 0.71 ADAM17 (0.55) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7955135 0.71 ADAM17 (0.55) MMP1MMP3MMP2MMP8MMP7

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