SCHEMBL6982254

SCHEMBL6982254

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.37
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC8 Q9BY41 5/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
MAPT P10636 1/20 0.37
CTSC P53634 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 3/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LMNA P02545 1/20 0.33
GHSR Q92847 2/20 0.33
CTSL P07711 1/20 0.32

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
SCHEMBL6987723 0.85 CTSC (0.36) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7815835 0.85 CTSC (0.36) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6986885 0.74 HTT (0.38) MAPT
SCHEMBL7930092 0.73 CTSC (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7930087 0.73 CTSC (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7930095 0.73 CTSC (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7930090 0.73 CTSC (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6942160 0.69 ADAM17 (0.37) CTSCGRIK1GRIK2
SCHEMBL6983883 0.65 GRIK1 (0.37) MAPTCTSCGRIK1GRIK2LMNA
SCHEMBL3859822 0.63 NPC1 (0.47) MAPTCTSLCTSS

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