SCHEMBL6221981

SCHEMBL6221981

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)OC(C)(C)C)C(/C=C/c1ccccc1)C(=O)CN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
PSMB5 P28074 1/20 0.35
ADAM17 P78536 4/20 0.35
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 6/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 5/20 0.33
POLB P06746 4/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6219848 0.93 REN (0.36) RENPSMB5ADAM17APPPSEN1
SCHEMBL6942458 0.87 ADAM17 (0.37) RENPSMB5ADAM17MAPTMAPK1
SCHEMBL6943368 0.87 ADAM17 (0.37) RENPSMB5ADAM17MAPTMAPK1
SCHEMBL7840717 0.86 NPSR1 (0.42) RENMAPTKMT2ANPSR1POLB
SCHEMBL6981635 0.85 MAPT (0.35) RENPSMB5ADAM17MAPTMAPK1
SCHEMBL6986700 0.83 PSMB5 (0.36) RENPSMB5ADAM17MAPTMAPK1
SCHEMBL6983531 0.83 REN (0.41) RENPSMB5APPPSEN1PSEN2
SCHEMBL6979636 0.83 ADAM17 (0.35) RENPSMB5ADAM17MAPTMAPK1
SCHEMBL6223099 0.82 KMT2A (0.36) KMT2A
SCHEMBL7835803 0.81 ADAM17 (0.36) RENPSMB5ADAM17MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-B1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed