SCHEMBL6138501

SCHEMBL6138501

O=C(CCCC[C@@H](O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
ALDH1A1 P00352 2/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
AOC3 Q16853 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL6138545 1.00 HRH3 (0.51) HRH3ALDH1A1HDAC1HDAC7HDAC8
Hydrochloric Acid SCHEMBL6138827 0.99 HRH3 (0.50) HRH3ALDH1A1HDAC1HDAC7HDAC8
Hydrochloric Acid SCHEMBL6138839 0.99 HRH3 (0.50) HRH3ALDH1A1HDAC1HDAC7HDAC8
SCHEMBL6138498 0.89 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL6138887 0.89 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL6138863 0.89 HRH3 (0.49) HRH3HDAC1HDAC7HDAC8HDAC3
SCHEMBL6138928 0.89 HRH3 (0.49) HRH3HDAC1HDAC7HDAC8HDAC3
Hydrochloric Acid SCHEMBL6138898 0.88 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL6138891 0.88 HDAC1 (0.45) HDAC1HDAC7HDAC8HDAC3HDAC2
Hydrochloric Acid SCHEMBL6139057 0.88 HRH3 (0.48) HRH3HDAC1HDAC7HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1215203-B1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-02-16 EP claimed
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 claimed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 EP claimed