SCHEMBL6773740

SCHEMBL6773740

O=C(CCC(CCO)c1ccc(C2CCCCC2)cc1)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
MITF O75030 1/20 0.39
KLF5 Q13887 1/20 0.39
APP P05067 1/20 0.38
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
NPC1 O15118 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
SCHEMBL6138895 0.78 HDAC1 (0.51) HDAC8HDAC6HDAC1ALDH1A1HPGD
SCHEMBL6138998 0.78 HDAC1 (0.51) HDAC8HDAC6HDAC1ALDH1A1HPGD
SCHEMBL6138450 0.78 HDAC1 (0.51) HDAC8HDAC6HDAC1ALDH1A1HPGD
SCHEMBL6139008 0.78 HDAC1 (0.51) HDAC8HDAC6HDAC1ALDH1A1HPGD
SCHEMBL6138539 0.76 HDAC8 (0.52) HDAC8HDAC6HDAC1ALDH1A1HDAC3
SCHEMBL6812985 0.72 HDAC2 (0.50) HDAC8HDAC6HDAC1HDAC3HDAC11
SCHEMBL6812978 0.72 HDAC2 (0.50) HDAC8HDAC6HDAC1HDAC3HDAC11
Hydrochloric Acid SCHEMBL6813385 0.72 HRH3 (0.47) HDAC8HDAC6HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL6813384 0.72 HRH3 (0.47) HDAC8HDAC6HDAC1ALDH1A1
SCHEMBL6813413 0.70 HDAC1 (0.42) HDAC8HDAC6HDAC1HDAC3HDAC11

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
US-6770644-B1 Hydroxamic acid derivatives, process for the production thereof and drug containing the same as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-08-03 US disclosed