SCHEMBL7828192

SCHEMBL7828192

CC(C)C[C@@H](C(=O)NN1C(=O)N[C@@H](CO)C1=O)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.37
MMP1 P03956 5/20 0.37
MMP13 P45452 2/20 0.37
MMP9 P14780 4/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP10 P09238 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP3 P08254 3/20 0.32
POLB P06746 1/20 0.32
CAPN2 P17655 2/20 0.32
MMP8 P22894 2/20 0.32

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
SCHEMBL7960359 0.94 MMP1 (0.37) APPMMP1MMP13MMP9MMP2
SCHEMBL7953718 0.93 MMP1 (0.36) APPMMP1MMP13MMP9MMP2
SCHEMBL7957318 0.91 MMP1 (0.36) APPMMP1MMP13MMP9MMP2
SCHEMBL7960600 0.91 MMP1 (0.37) APPMMP1MMP13MMP9MMP2
SCHEMBL7842288 0.90 MMP1 (0.37) APPMMP1MMP13MMP9MMP2
SCHEMBL7848834 0.88 GAA (0.37) APPMMP1MMP13MMP9MMP2
SCHEMBL6221034 0.87 MMP1 (0.38) APPMMP1MMP13MMP9MMP2
SCHEMBL7960591 0.86 MMP1 (0.36) APPMMP1MMP13MMP9MMP2
SCHEMBL7840733 0.85 ADAM17 (0.37) APPMMP1MMP13MMP9MMP2
SCHEMBL7840735 0.85 ADAM17 (0.37) APPMMP1MMP13MMP9MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed