SCHEMBL6773744

SCHEMBL6773744

O=C(CCC(CCO)c1ccc(-c2cccc3ccccc23)cc1)NO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PPARG P37231 8/20 0.42
PPARA Q07869 8/20 0.42
TBXAS1 P24557 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL6138899 0.81 HDAC1 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6812985 0.76 HDAC2 (0.50) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6812978 0.76 HDAC2 (0.50) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6809455 0.75 HSD17B10 (0.48) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6809450 0.75 HSD17B10 (0.48) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6817795 0.73 HDAC2 (0.47) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6817789 0.73 HDAC2 (0.47) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL2839404 0.72 HDAC4 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL29355433 0.69 HDAC6 (1.00) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL10361645 0.69 HDAC6 (1.00) HDAC8HDAC6HDAC1HDAC2HDAC3

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