SCHEMBL7828238

SCHEMBL7828238

CCCC(C(=O)NO)[C@@H](CC(C)C)C(=O)NN1CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.44
MMP3 P08254 15/20 0.44
APP P05067 2/20 0.42
MMP2 P08253 14/20 0.37
MMP13 P45452 6/20 0.37
MMP9 P14780 5/20 0.37
MMP7 P09237 5/20 0.37
ADAM17 P78536 2/20 0.37
MMP14 P50281 2/20 0.37
MMP10 P09238 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MMP8 P22894 9/20 0.35
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL7955084 0.82 MMP1 (0.41) MMP1MMP3APPMMP2MMP13
SCHEMBL7839515 0.82 MMP1 (0.47) MMP1MMP3APPMMP2MMP13
SCHEMBL7840534 0.82 MMP1 (0.41) MMP1MMP3APPMMP2MMP13
SCHEMBL1844380 0.79 ADAM17 (0.55) MMP1MMP3APPMMP2MMP13
SCHEMBL1844385 0.79 ADAM17 (0.55) MMP1MMP3APPMMP2MMP13
SCHEMBL7955133 0.79 ADAM17 (0.55) MMP1MMP3APPMMP2MMP13
SCHEMBL7955135 0.79 ADAM17 (0.55) MMP1MMP3APPMMP2MMP13
SCHEMBL13274078 0.79 ADAM17 (0.55) MMP1MMP3APPMMP2MMP13
SCHEMBL7828824 0.78 MMP2 (0.45) MMP1MMP3MMP2MMP13MMP9
SCHEMBL7835181 0.76 MMP3 (0.39) MMP1MMP3MMP2MMP13MMP9

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
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed