SCHEMBL7835569

SCHEMBL7835569

CC(C)C[C@@H](C(=O)NC1C(=O)NC(=O)N1C)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
APP P05067 5/20 0.36
MMP1 P03956 5/20 0.33
MMP2 P08253 4/20 0.33
MMP3 P08254 4/20 0.33
MMP9 P14780 3/20 0.33
MMP7 P09237 2/20 0.33
TGFBR1 P36897 1/20 0.33
MMP10 P09238 1/20 0.33
MMP13 P45452 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
MMP14 P50281 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ANPEP P15144 2/20 0.33
LTA4H P09960 1/20 0.33
LAP3 P28838 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
SCHEMBL7827953 0.93 ADAM17 (0.37) ADAM17APPMMP1MMP2MMP3
SCHEMBL7835552 0.85 ADAM17 (0.44) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL7955132 0.85 ADAM17 (0.44) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL7840552 0.84 ADAM17 (0.37) ADAM17APPMMP1MMP2MMP3
SCHEMBL7960563 0.83 ADAM17 (0.39) ADAM17APPMMP1MMP2MMP3
SCHEMBL7839914 0.83 ADAM17 (0.39) ADAM17APPMMP1MMP2MMP3
SCHEMBL6983937 0.83 ADAM17 (0.42) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL7828157 0.82 ADAM17 (0.39) ADAM17APPMMP1MMP2MMP3
SCHEMBL6946530 0.82 ADAM17 (0.40) ADAM17APPMMP1MMP2MMP3
SCHEMBL6946529 0.82 ADAM17 (0.40) ADAM17APPMMP1MMP2MMP3

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