SCHEMBL6138521

SCHEMBL6138521

O=C(CCCC[C@@H](O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HRH3 Q9Y5N1 4/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 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
SCHEMBL6138524 1.00 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6HRH3
Hydrochloric Acid SCHEMBL6138733 0.99 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6HRH3
Hydrochloric Acid SCHEMBL6138728 0.99 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6HRH3
SCHEMBL6778574 0.86 KDM4E (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6778571 0.86 KDM4E (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6138355 0.85 HRH3 (0.47) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL6138887 0.85 HDAC1 (0.45) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL6138498 0.85 HDAC1 (0.45) HDAC1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL6138898 0.84 HDAC1 (0.45) HDAC1HDAC2HDAC8HDAC6HDAC3
Hydrochloric Acid SCHEMBL6138891 0.84 HDAC1 (0.45) HDAC1HDAC2HDAC8HDAC6HDAC3

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