SCHEMBL7100102

SCHEMBL7100102

CCN(CC)CCCS(=O)(=O)C(/C=C/c1ccccc1)(CC(C)C)[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.41
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
LTA4H P09960 1/20 0.32
ANPEP P15144 1/20 0.32
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP3 P08254 3/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
MMP7 P09237 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP8 P22894 1/20 0.31
CCR4 P51679 1/20 0.30

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
SCHEMBL7102058 0.93 ADAM17 (0.36) ADAM17
SCHEMBL7101854 0.90 ADAM17 (0.33) ADAM17BCHEACHEMMP1MMP2
SCHEMBL7104651 0.89 ADAM17 (0.42) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL7103553 0.89 ADAM17 (0.42) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL7104723 0.88 ADAM17 (0.44) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL7100916 0.85 CHRM2 (0.33) ADAM17
SCHEMBL7104768 0.85 ADAM17 (0.37) ADAM17MMP1
SCHEMBL6942610 0.83 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL4481740 0.83 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL7104740 0.83 ADAM17 (0.34) ADAM17BCHEACHEMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP claimed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP claimed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US claimed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO claimed
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed