SCHEMBL7955052

SCHEMBL7955052

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
PAX8 Q06710 1/20 0.45
MMP1 P03956 7/20 0.44
MMP13 P45452 3/20 0.44
MMP8 P22894 4/20 0.42
APP P05067 2/20 0.41
MMP2 P08253 7/20 0.38
MMP7 P09237 6/20 0.38
MMP9 P14780 2/20 0.38
MMP14 P50281 2/20 0.38
ADAM17 P78536 2/20 0.38
MMP10 P09238 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MMP3 P08254 6/20 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
SCHEMBL7955050 1.00 GAA (0.45) GAAHTTPAX8MMP1MMP13
SCHEMBL7955056 1.00 GAA (0.45) GAAHTTPAX8MMP1MMP13
SCHEMBL7953835 0.92 MMP8 (0.47) GAAHTTPAX8MMP1MMP13
SCHEMBL7953833 0.92 MMP8 (0.47) GAAHTTPAX8MMP1MMP13
SCHEMBL7963754 0.92 MMP8 (0.47) GAAHTTPAX8MMP1MMP13
SCHEMBL7957370 0.89 MMP1 (0.44) MMP1MMP13MMP8APPMMP2
SCHEMBL7957373 0.89 MMP1 (0.44) MMP1MMP13MMP8APPMMP2
SCHEMBL7828527 0.89 MMP1 (0.44) MMP1MMP13MMP8APPMMP2
SCHEMBL7839297 0.85 MMP1 (0.46) MMP1MMP13MMP8APPMMP2
SCHEMBL7955101 0.85 MMP1 (0.46) 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