SCHEMBL7955088

SCHEMBL7955088

COC[C@@H]1NC(=O)N(NC(=O)[C@H](CC(C)C)[C@H](CCCc2ccccc2)C(=O)NO)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.44
MMP13 P45452 3/20 0.44
MMP8 P22894 3/20 0.42
APP P05067 2/20 0.41
MMP2 P08253 7/20 0.40
MMP7 P09237 4/20 0.40
MMP9 P14780 2/20 0.40
MMP14 P50281 2/20 0.40
ADAM17 P78536 2/20 0.40
MMP10 P09238 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MMP3 P08254 7/20 0.38
TSHR P16473 1/20 0.37
FCER2 P06734 2/20 0.37
PDE4A P27815 2/20 0.37

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
SCHEMBL7955094 1.00 MMP1 (0.44) MMP1MMP13MMP8APPMMP2
SCHEMBL7955083 1.00 MMP1 (0.44) MMP1MMP13MMP8APPMMP2
SCHEMBL7953835 0.90 MMP8 (0.47) MMP1MMP13MMP8APPMMP2
SCHEMBL7955101 0.90 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL7839305 0.90 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL7953833 0.90 MMP8 (0.47) MMP1MMP13MMP8APPMMP2
SCHEMBL7839297 0.90 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL7839302 0.90 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL7963754 0.90 MMP8 (0.47) MMP1MMP13MMP8APPMMP2
SCHEMBL7841466 0.89 MMP1 (0.44) 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 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