SCHEMBL7836618

SCHEMBL7836618

CC(C)C[C@@H](C(=O)NN1C(=O)NC2(CCN(C(=O)O)CC2)C1=O)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
REN P00797 1/20 0.34
SSTR2 P30874 4/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP13 P45452 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FPR2 P25090 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL7838763 0.93 MMP3 (0.36) MMP1MMP3MMP9SIGMAR1REN
SCHEMBL7838759 0.93 MMP3 (0.36) MMP1MMP3MMP9SIGMAR1REN
SCHEMBL7955182 0.93 MEN1 (0.39) MMP1MMP3MMP9MEN1MAPT
SCHEMBL7850472 0.91 MMP3 (0.37) MMP1MMP3MMP9RENSSTR2
SCHEMBL7838766 0.91 MMP3 (0.37) MMP1MMP3MMP9RENSSTR2
SCHEMBL7955756 0.89 ALDH1A1 (0.36) MMP1MMP3MMP9RENSSTR2
SCHEMBL7955753 0.89 ALDH1A1 (0.36) MMP1MMP3MMP9RENSSTR2
SCHEMBL7836622 0.87 SIGMAR1 (0.34) MMP1MMP3MMP9SIGMAR1REN
SCHEMBL7955667 0.83 MMP1 (0.40) MMP1MMP3MMP9L3MBTL1MEN1
SCHEMBL7849143 0.82 HDAC1 (0.41) MMP1MMP9MMP13

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