SCHEMBL7848834

SCHEMBL7848834

CC(C)C[C@@H]1NC(=S)N(NC(=O)[C@H](CC(C)C)[C@H](CCCc2ccccc2)C(=O)NOC2CCCCO2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
MMP1 P03956 4/20 0.35
MMP13 P45452 2/20 0.35
APP P05067 7/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP7 P09237 1/20 0.34
MMP10 P09238 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TERF2 Q15554 2/20 0.33
LMNA P02545 1/20 0.33

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) MMP1MMP13APPMMP2MMP9
SCHEMBL7960591 0.91 MMP1 (0.36) MMP1MMP13APPMMP2MMP9
SCHEMBL7828192 0.88 APP (0.37) MMP1MMP13APPMMP2MMP9
SCHEMBL7955118 0.87 MMP1 (0.37) MMP1MMP13APPMMP2MMP9
SCHEMBL7953718 0.87 MMP1 (0.36) MMP1MMP13APPMMP2MMP9
SCHEMBL7960600 0.86 MMP1 (0.37) MMP1MMP13APPMMP2MMP9
SCHEMBL7842288 0.85 MMP1 (0.37) MMP1MMP13APPMMP2MMP9
SCHEMBL7957318 0.85 MMP1 (0.36) MMP1MMP13APPMMP2MMP9
SCHEMBL6221034 0.85 MMP1 (0.38) MMP1MMP13APPMMP2MMP9
SCHEMBL7836672 0.85 MMP1 (0.35) MMP1MMP13APPMMP2MMP9

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