SCHEMBL6986885

SCHEMBL6986885

CCCC(C[C@](C)(CCC)[C@H](C/C=C/c1ccccc1)C(=O)NOCc1ccccc1)(C(=O)CCCNC(=O)OCc1ccccc1)C(=O)NN

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CAPN1 P07384 1/20 0.36
CAPN2 P17655 1/20 0.36
TGM2 P21980 1/20 0.34
ANPEP P15144 1/20 0.34
BMP1 P13497 1/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FOLH1 Q04609 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
SCHEMBL6982254 0.74 HDAC3 (0.37) MAPT
SCHEMBL7930095 0.67 CTSC (0.37)
SCHEMBL7930090 0.67 CTSC (0.37)
SCHEMBL7930087 0.67 CTSC (0.37)
SCHEMBL6942160 0.67 ADAM17 (0.37)
SCHEMBL6981588 0.67 CAPN1 (0.40) HTTCAPN1CAPN2TGM2BMP1
SCHEMBL6984895 0.66 CTSC (0.33)
SCHEMBL6979893 0.65 GRIK1 (0.33)
SCHEMBL14314243 0.65 HTT (0.55) HTTTGM2ANPEPKEAP1NFE2L2
SCHEMBL13741581 0.63 HTT (0.62) HTTTGM2ANPEPKEAP1NFE2L2

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