SCHEMBL7955728

SCHEMBL7955728

CC(C)CC(C(=O)NN1C(=O)CNC1=O)[C@@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.47
MMP13 P45452 2/20 0.47
MMP8 P22894 4/20 0.44
APP P05067 1/20 0.43
MMP2 P08253 9/20 0.43
MMP3 P08254 9/20 0.43
MMP7 P09237 7/20 0.43
TSHR P16473 1/20 0.41
FCER2 P06734 1/20 0.40
MMP9 P14780 2/20 0.40
ADAM17 P78536 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
ANPEP P15144 1/20 0.40

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
SCHEMBL27449166 1.00 MMP1 (0.47) MMP1MMP13MMP8APPMMP2
SCHEMBL7840632 1.00 MMP1 (0.47) MMP1MMP13MMP8APPMMP2
SCHEMBL7839520 1.00 MMP1 (0.47) MMP1MMP13MMP8APPMMP2
SCHEMBL7839132 0.92 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL7839141 0.92 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL6221555 0.91 MMP1 (0.48) MMP1MMP13MMP8APPMMP2
SCHEMBL6221547 0.91 MMP1 (0.48) MMP1MMP13MMP8APPMMP2
SCHEMBL7841798 0.88 MMP1 (0.41) MMP1MMP13MMP8APPMMP2
SCHEMBL7953838 0.88 MMP1 (0.41) MMP1MMP13MMP8APPMMP2
SCHEMBL7835525 0.84 MMP1 (0.47) MMP1MMP13MMP8APPMMP2

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