SCHEMBL7836622

SCHEMBL7836622

CC(C)C[C@@H](CNN1C(=O)NC2(CCN(C(=O)O)CC2)C1=O)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
REN P00797 1/20 0.32
SSTR2 P30874 3/20 0.32
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7836618 0.87 MMP1 (0.36) SIGMAR1MMP1MMP3MMP9MAPT
SCHEMBL7849232 0.82 HDAC1 (0.40) MMP1MMP9
SCHEMBL7848203 0.80 L3MBTL1 (0.35) MMP3MEN1KMT2APOLB
SCHEMBL7955182 0.80 MEN1 (0.39) MMP1MMP3MMP9MAPTMEN1
SCHEMBL7838763 0.80 MMP3 (0.36) SIGMAR1MMP1MMP3MMP9MAPT
SCHEMBL7838759 0.80 MMP3 (0.36) SIGMAR1MMP1MMP3MMP9MAPT
SCHEMBL7850472 0.77 MMP3 (0.37) MMP1MMP3MMP9MAPTMEN1
SCHEMBL7838766 0.77 MMP3 (0.37) MMP1MMP3MMP9MAPTMEN1
SCHEMBL7955756 0.77 ALDH1A1 (0.36) MMP1MMP3MMP9MAPTMEN1
SCHEMBL7955753 0.77 ALDH1A1 (0.36) MMP1MMP3MMP9MAPTMEN1

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