SCHEMBL7841547

SCHEMBL7841547

CC(C)C[C@@H](C(=O)N(N)C(N)=O)[C@@H](C(=O)OC(C)(C)C)C(/C=C/c1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
F10 P00742 7/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
APP P05067 1/20 0.35
FCER2 P06734 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP1 P03956 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL6983531 0.84 REN (0.41) RENF10POLBMAPTATM
SCHEMBL6942458 0.75 ADAM17 (0.37) RENPOLBMAPTATMNPSR1
SCHEMBL6943368 0.75 ADAM17 (0.37) RENPOLBMAPTATMNPSR1
SCHEMBL6986700 0.72 PSMB5 (0.36) RENPOLBMAPTATMNPSR1
SCHEMBL6981635 0.72 MAPT (0.35) RENPOLBMAPTATMNPSR1
SCHEMBL6979636 0.72 ADAM17 (0.35) RENPOLBMAPTATMNPSR1
SCHEMBL7957555 0.71 ADAM17 (0.46)
SCHEMBL6984926 0.70 REN (0.39) RENATMMAPK1
SCHEMBL7840717 0.70 NPSR1 (0.42) RENPOLBMAPTNPSR1
SCHEMBL6985082 0.70 CTSS (0.35) RENMAPTATMMAPK1MMP1

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