SCHEMBL8409096

SCHEMBL8409096

COC(=O)CCCCC(=O)Nc1cccc(-c2cccc(N)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.61
HDAC1 Q13547 8/20 0.61
HDAC3 O15379 6/20 0.61
HDAC8 Q9BY41 6/20 0.61
HDAC4 P56524 5/20 0.61
HDAC7 Q8WUI4 5/20 0.61
HDAC2 Q92769 5/20 0.61
HDAC10 Q969S8 5/20 0.61
HDAC11 Q96DB2 5/20 0.61
HDAC9 Q9UKV0 5/20 0.61
HDAC5 Q9UQL6 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.52
PTPRC P08575 3/20 0.52
PTPN13 Q12923 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAP4K4 O95819 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL31415856 0.92 HDAC8 (0.72) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL4581162 0.87 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8409079 0.86 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC8HDAC4
Hydrochloric Acid SCHEMBL8410796 0.84 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL3908274 0.84 MEN1 (0.63) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8409099 0.84 KDM4E (0.49) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL31635250 0.83 PTPRC (0.65) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13363465 0.80 HDAC1 (0.91) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL7365712 0.80 HDAC1 (0.80) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL15757244 0.79 MTNR1B (0.65) L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed