SCHEMBL8296528

SCHEMBL8296528

CC(=O)NCCCCCNC(=O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.75
▸ HDAC1 Q13547 5/20 0.70
▸ HDAC2 Q92769 5/20 0.70
▸ HDAC8 Q9BY41 5/20 0.70
▸ HDAC6 Q9UBN7 5/20 0.70
▸ HDAC3 O15379 4/20 0.70
▸ HDAC4 P56524 4/20 0.70
▸ HDAC7 Q8WUI4 4/20 0.70
▸ HDAC10 Q969S8 4/20 0.70
▸ HDAC11 Q96DB2 4/20 0.70
▸ HDAC9 Q9UKV0 4/20 0.70
▸ HDAC5 Q9UQL6 4/20 0.70
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ MAPK1 P28482 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ NAMPT P43490 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ HIF1A Q16665 1/20 0.57

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
SCHEMBL16248437 0.91 LMNA (0.70) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9492235 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9452844 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9489804 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9188890 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9492328 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL7460068 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL9489756 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL20734829 0.91 HDAC1 (0.82) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL8779817 0.89 HDAC1 (0.79) NAAAHDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 — — WO disclosed
Send feedback