SCHEMBL6983531

SCHEMBL6983531

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
APP P05067 1/20 0.39
FCER2 P06734 1/20 0.38
MAPK1 P28482 1/20 0.38
F10 P00742 3/20 0.37
PSMB5 P28074 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL6943368 0.92 ADAM17 (0.37) RENPOLBMAPTATMNPSR1
SCHEMBL6942458 0.92 ADAM17 (0.37) RENPOLBMAPTATMNPSR1
SCHEMBL6986700 0.88 PSMB5 (0.36) RENPOLBMAPTATMNPSR1
SCHEMBL6979636 0.87 ADAM17 (0.35) RENPOLBMAPTATMNPSR1
SCHEMBL6981635 0.87 MAPT (0.35) RENPOLBMAPTATMNPSR1
SCHEMBL6984926 0.86 REN (0.39) RENATMMAPK1MMP2
SCHEMBL7840717 0.85 NPSR1 (0.42) RENPOLBMAPTNPSR1
SCHEMBL6985082 0.85 CTSS (0.35) RENMAPTATMMAPK1PSMB5
SCHEMBL6986589 0.85 PSMB5 (0.34) RENPOLBMAPTATMNPSR1
SCHEMBL7841547 0.84 REN (0.38) RENPOLBMAPTATMNPSR1

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed